Journal of Computational Chemistry

2.6(top 20%)

impact factor

7.8K(top 2%)

papers

734.3K(top 1%)

citations

261(top 1%)

h-index

3.2(top 20%)

extended IF

10.2K

all documents

779.0K

doc citations

767(top 0.1%)

g-index

Top Authors (by citations)

#	Author	Articles	Citations	R ARank	R CRank
1	Arthur J Olson	5	53,327	2	1
2	Stefan Grimme	8	47,605	12	1
3	Thomas E Ferrin	1	38,977	12	1
4	David A Case	12	29,896	4	1
5	Berk Hess	3	29,323	5	1
6	David S Goodsell	4	28,994	13	1
7	Garrett M Morris	3	28,959	7	1
8	Tian Lu	5	27,181	4	1
9	Alexander D Mackerell	45	26,152	2	1
10	Feiwu Chen	4	25,200	1	1
11	Tian Lu	1	25,094	2	1
12	Junmei Wang	9	23,924	4	1
13	Jan H Jensen	7	19,667	6	1
14	Mark S Gordon	9	19,619	7	1
15	Mark S Gordon	4	19,609	5	1
16	Kim K Baldridge	2	19,268	23	1
17	Shiro Koseki	2	19,261	7	1
18	Theresa L Windus	3	19,249	6	1
19	John A Montgomery	1	19,245	8	1
19	Jerry A Boatz	1	19,245	7	1
19	Kiet A Nguyen	1	19,245	6	1
22	Alan E Mark	10	19,189	7	1
23	Sebastian Ehlert	7	18,075	8	2
24	Michel F Sanner	3	18,034	2	1
25	Lars Goerigk	6	17,855	3	1
26	Emad Tajkhorshid	4	16,203	18	1
27	Klaus Schulten	2	16,191	13	2
27	James C Phillips	2	16,191	3	1
29	Bernard R Brooks	7	16,188	5	1
30	James C Gumbart	4	16,006	7	1
31	Robert D Skeel	4	15,924	2	1
32	Christophe Chipot	3	15,610	10	1
33	Rosemary Braun	1	15,566	9	1
33	Alfredo M Simas	2	15,566	11	1
33	Elizabeth Villa	1	15,566	11	1
36	Gerrit Groenhof	5	14,957	5	1
37	David Van Der Spoel	4	14,685	7	2
38	Erik Lindahl	4	14,626	8	3
39	Ray Luo	8	12,941	5	1
40	Evert Jan Baerends	8	12,925	10	2
41	Kenneth M Merz	18	12,110	5	2
42	F Matthias Bickelhaupt	26	11,708	2	1
43	Wonpil Im	27	10,528	2	1
44	Célia Fonseca Guerra	13	10,413	2	1
45	Robert J Woods	6	10,302	4	1
46	Vincenzo Barone	28	10,265	8	3
47	Alexey V Onufriev	4	9,022	5	1
48	Holger Gohlke	7	8,989	6	1
49	Maurizio Cossi	8	8,870	3	1
50	Sunhwan Jo	7	8,835	2	1
51	Thomas E Cheatham	6	8,738	7	2
52	Charles L Brooks	28	8,650	1	1
53	Carlos Simmerling	3	8,157	6	2
54	Benoît Roux	11	8,001	8	1
55	Emilio Martínez-núñez	7	7,721	4	1
56	Amedeo Caflisch	6	7,653	8	1
57	Wilfred F Van Gunsteren	31	7,608	1	1
58	Emanuele Paci	3	7,421	10	1
59	Timothy Clark	15	7,417	7	1
60	Susan M Webb	1	7,384	22	1
61	Nadia Rega	8	7,270	5	1
62	Giovanni Scalmani	6	7,188	3	2
63	H Bernhard Schlegel	10	7,183	5	2
64	Robert H Swendsen	2	6,676	11	2
65	E G Birgin	1	6,404	19	1
65	J M Martínez	1	6,404	16	1
67	Kenneth B Wiberg	14	5,722	5	2
68	James J P Stewart	3	5,045	2	2
69	Karol M Langner	2	5,030	1	1
70	Michael Feig	10	4,569	5	1
71	Chris Oostenbrink	19	4,549	2	1
72	Alexander D Mackerell	15	4,442	1	3
73	Richard Dronskowski	19	4,435	5	1
74	Yong Duan	4	4,375	8	1
75	Frank Weinhold	18	4,328	3	4
76	Chun Wu	2	4,248	14	1
77	Courtney C Aldrich	4	4,224	15	1
78	Christopher I Bayly	2	4,215	2	3
79	Erick Carreira	3	4,207	16	4
80	Wei Zhang	1	4,083	3	1
80	Gang Yuan	1	4,083	5	1
82	Wayne Guida	5	3,994	2	1
83	Mark A Lipton	2	3,966	3	1
84	Volker L Deringer	4	3,958	8	1
85	Rob M J Liskamp	1	3,745	36	1
86	Markus Reiher	13	3,730	5	2
87	Alessandra Villa	4	3,613	2	1
88	Graeme Henkelman	2	3,521	28	4
89	William Jorgensen	21	3,361	6	5
90	Andrei L Tchougréeff	7	3,353	3	1
91	Roger Smith	1	3,349	27	1
92	Roland Lindh	10	3,054	6	2
93	Jing Huang	5	2,987	4	2
94	Nicolas Ferr	3	2,976	9	1
95	Francesco Aquilante	4	2,922	3	1
96	Thomas Bondo Pedersen	3	2,918	7	2
97	Valera Veryazov	4	2,891	2	1
98	Luca De Vico	2	2,851	6	1
99	Jumin Lee	7	2,846	1	2
100	Martin J Field	5	2,786	1	1
101	Matthew Clark	1	2,730	4	1
102	Vitaly Rassolov	4	2,644	4	3
103	Philippe H Hünenberger	13	2,622	3	1
104	Yifei Qi	13	2,607	3	3
105	Oliver Beckstein	2	2,557	4	1
106	David Feller	4	2,522	6	3
107	Leonard M Khalilov	1	2,515	30	1
108	Huan Rui	2	2,229	2	1
109	Roberto Dovesi	16	2,185	3	1
110	Jay W Ponder	11	2,183	2	2
111	Niles A Pierce	5	2,166	2	1
112	Vincent Zoete	6	2,133	5	3
113	Chun Wei Yap	2	2,112	4	1
114	Jeffery B Klauda	3	2,034	7	4
115	Mark A Ratner	2	2,021	23	7
116	Emilio Gallicchio	11	1,994	1	1
117	Viviana Monje-galvan	2	1,989	3	1
118	Xi Cheng	1	1,977	4	1
118	Xi Cheng	1	1,977	10	2
120	Karl Kirschner	3	1,936	4	1
121	Ronald M Levy	11	1,893	2	1
122	Thomas G Purdie	1	1,862	8	1
123	Abdul-rahman Allouche	2	1,848	12	1
124	Thomas Bredow	17	1,844	2	1
125	Pavel Hobza	16	1,810	11	10
126	Eric D Glendening	5	1,803	2	1
127	Hans Lischka	12	1,787	8	3
128	Feliu Maseras	6	1,781	12	2
129	Clark R Landis	5	1,753	4	2
130	Anthony Nicholls	4	1,721	2	3
131	Sergey Vyazovkin	3	1,719	13	4
132	Alessandro Soncini	3	1,690	7	1
133	Nicholas F Chilton	1	1,670	17	1
133	Yongsheng Fu	1	1,670	8	1
133	Keith S Murray	1	1,670	20	1
136	Piotr Cieplak	5	1,648	3	4
137	Michal Vieth	4	1,608	2	1
138	Maxim Totrov	4	1,602	3	1
139	Michel A Cuendet	1	1,586	7	1
140	Roberto Cammi	10	1,562	4	5
141	Michal Pitoňák	2	1,558	4	1
142	Ruben Abagyan	2	1,549	14	1
143	Pere Alemany	7	1,531	6	3
144	Massimo Olivucci	4	1,520	14	3
145	Mickaël G Delcey	4	1,503	4	1
146	Giovanni Ghigo	1	1,494	13	1
146	Felix Plasser	4	1,494	6	2
148	Lorenzo Maschio	12	1,491	5	2
149	Michael K Gilson	6	1,482	4	3
150	Jochen Autschbach	3	1,459	23	4
151	C M Zicovich-wilson	4	1,428	7	1
152	Marco Garavelli	5	1,425	15	2
153	Henry Chermette	8	1,424	8	1
154	Frank Neese	12	1,411	11	13
155	Santiago Alvarez	5	1,410	11	5
156	Ignacio Fdez Galván	5	1,405	3	1
157	Luis Manuel Frutos	2	1,399	7	1
158	Artur Nenov	3	1,394	10	1
159	Per ÅKe Malmqvist	2	1,392	9	4
160	Fabien Pascale	10	1,390	1	1
160	Ivan Rivalta	3	1,390	9	1
162	Donald G Truhlar	13	1,386	17	17
163	Eliseo Ruiz	3	1,372	16	4
164	Igor Schapiro	2	1,364	14	1
165	Justin S Bois	1	1,361	2	1
166	Laura Gagliardi	1	1,357	48	6
166	Oliver Weingart	1	1,357	13	1
166	Daoling Peng	1	1,357	3	1
166	Alessio Valentini	1	1,357	3	1
166	Rebecca K Carlson	1	1,357	6	1
166	Miquel Sol	26	1,357	5	5
166	Javier Segarra-mart	1	1,357	7	1
166	Giovanni Li Manni	1	1,357	6	2
166	Guang Hu	1	1,357	24	1
166	Angelo Giussani	1	1,357	9	1
166	Liviu F Chibotaru	1	1,357	28	6
166	Chad E Hoyer	1	1,357	4	1
166	Thomas Müller	1	1,357	8	1
179	Peter Pulay	24	1,351	2	4
180	Barry Honig	2	1,348	14	2
181	Daniel H Robertson	1	1,337	3	1
182	Joan Cano	2	1,325	14	3
183	Florian Müller-plathe	6	1,311	5	2
184	Brian K Shoichet	2	1,307	17	8
185	Julian Tirado-rives	6	1,305	6	4
186	F Javier Luque	23	1,278	3	3
187	Modesto Orozco	23	1,276	3	7
188	Kim A Sharp	5	1,268	6	3
189	Zhiwu Huang	1	1,263	18	1
190	Carolina Roselli	1	1,241	7	2
191	Xavier Daura	4	1,230	6	2
192	Walter Thiel	28	1,223	6	11
193	J Andrew Mccammon	16	1,216	8	12
194	Harold A Scheraga	28	1,178	4	5
195	Qinxue Chen	1	1,137	4	2
196	Arieh Warshel	5	1,136	7	8
197	Dmitri G Fedorov	13	1,122	4	3
198	Werner Braun	4	1,120	7	2
199	Dirk Reith	1	1,095	14	1
200	Sandeep Patel	10	1,077	2	1
201	C David Sherrill	4	1,046	9	8
202	Pengyu Ren	8	1,038	4	3
203	Peter J Steinbach	1	1,028	8	2
204	Frank Eisenhaber	2	1,018	18	5
205	Yihan Shao	8	1,009	4	4
206	Nohad Gresh	26	987	1	1
207	Paola Gramatica	7	976	1	5
207	Peter M W Gill	9	976	7	5
209	S Rackovsky	5	974	3	1
210	A T Hagler	5	966	2	3
211	Eugenio Coronado	6	938	25	10
211	Juan Modesto Clemente-juan	6	938	6	3
213	Helmut Grubmüller	8	921	3	5
214	Ulf Ryde	13	903	6	5
215	Anna I Krylov	10	891	7	8
216	Emil Alexov	10	889	3	2
216	Bartolomeo Civalleri	5	889	9	5
218	Martin Head-gordon	4	875	18	14
218	Lennart Nilsson	8	875	4	3
220	Bert L De Groot	5	874	8	6
221	Ramon Carbó-dorca	17	864	3	3
222	Ricardo O Freire	3	858	12	1
223	Keli Han	10	854	13	11
224	Lucas Visscher	15	850	4	3
225	Johannes Neugebauer	7	842	6	2
226	Chris Sander	1	826	50	28
226	Philip Lijnzaad	1	826	7	1
228	Lukas D Schuler	1	825	3	1
228	Saeedreza Emamian	1	825	9	1
228	Holger Kruse	1	825	10	2
231	Yirong Mo	15	814	3	4
232	K Anton Feenstra	2	808	6	1
233	Jiali Gao	12	807	4	8
234	Heather A Carlson	4	805	6	2
235	Wenbo Yu	3	800	2	1
236	Jiří ŠPoner	4	798	17	10
237	Chaok Seok	10	795	2	3
238	Jean-philip Piquemal	22	789	2	2
239	Yuko Okamoto	10	779	7	4
240	Tingjun Hou	2	776	35	8
241	Elmar Krieger	1	774	3	3
242	Juan Raúl Alvarez-idaboy	6	755	6	1
243	Pedro A Fernandes	13	745	6	4
244	Nino Russo	20	744	6	9
245	Sason Shaik	11	743	9	11
245	Edward F C Byrd	3	743	5	3
247	Joachim Sauer	5	740	17	13
247	Antonio Frontera	4	740	41	13
249	David J Hardy	2	739	2	2
250	John E Stone	2	738	4	4
251	Richard A Friesner	10	730	4	13
252	Nilesh K Banavali	2	720	7	2
253	Daan P Geerke	4	716	2	1
254	Fumio Hirata	9	712	6	5
255	Christina Ertural	2	709	1	1
256	Hiromi Nakai	30	707	3	3
256	Xibing He	1	707	10	1
256	Annia Galano	4	707	14	6
259	Dennis R Salahub	5	704	9	6
260	Robert C Rizzo	5	703	2	1
261	Trent E Balius	5	696	1	1
262	Dön Farkas	4	694	3	1
263	Dennis Liotta	2	692	16	4
264	Christopher J Cramer	11	691	11	19
264	Michele Pavone	2	691	14	1
264	Gerd Bruno Rocha	6	691	1	1
267	Thomas R Furlani	2	690	1	4
268	Nicholas A Besley	6	689	8	5
269	Carlo Adamo	21	687	7	9
270	Yuedong Yang	13	683	2	2
271	Daniel Forrer	1	679	6	1
271	Maurizio Casarin	1	679	19	1
271	Mauro Sambi	1	679	17	1
271	Andrea Vittadini	1	679	20	4
275	Jill E Gready	19	677	1	1
276	Martin Kaupp	8	675	14	9
277	Christian Ochsenfeld	3	665	9	7
278	Florian Weigend	3	663	14	7
279	Ngel Martín Pendás	12	659	5	5
280	Alberto Del Rio	2	656	6	1
280	Maria J Ramos	15	656	5	4
282	Kimihiko Hirao	20	651	4	3
283	Evangelos A Coutsias	5	643	1	1
284	Marek Sierka	9	639	4	5
284	Janine George	1	639	12	1
284	Geoffroy Hautier	1	639	25	9
284	Troy Van Voorhis	3	639	10	7
288	Gianluca Degliesposti	1	637	7	1
288	Giulio Rastelli	1	637	21	4
290	Walter Rocchia	1	636	11	2
291	Liang Shen	1	632	22	1
291	Youyong Li	1	632	68	15
291	Wei Wang	1	632	11	1
294	Paul R Rablen	1	631	8	3
295	Muhammad Zia Khan	1	630	13	1
296	Carsten Kutzner	3	628	1	3
297	Bingyi Kang	1	625	7	1
297	Peter L Freddolino	1	625	18	4
299	Jiří ČErn	1	624	16	2
299	Peter Eastman	3	624	2	3
301	Aaron M Lee	2	623	5	3
301	Naoto Ishikawa	2	623	7	4
301	Chao-ping Hsu	2	623	16	4
301	Henry F Schaefer	20	623	10	13
301	Steven R Gwaltney	2	623	5	4
306	Jan M L Martin	8	621	9	11
307	Seonghoon Kim	2	614	3	1
308	Andreas Klamt	4	613	8	9
309	Freddie R Salsbury	2	607	9	1
310	Riccardo Baron	1	602	13	2
311	Leandro Martínez	2	596	7	1
312	Garrett B Goh	1	583	4	1
313	Paul G Mezey	19	580	2	3
314	Justin A Lemkul	7	572	1	2
314	Ulrich H E Hansmann	4	572	11	3
316	Richard W Pastor	4	567	6	8
317	Ester Papa	2	565	12	2
318	Josep Maria Bofill	18	562	2	1
319	Sebastian Kozuch	2	558	13	5
320	Wesley D Allen	5	554	5	6
321	Kuo-chen Chou	4	553	19	19
322	Olgun Guvench	3	547	2	2
322	Guangjiu Zhao	4	547	5	5
324	Gernot Frenking	4	533	13	12
325	Paul L A Popelier	21	530	1	3
325	György G Ferenczy	8	530	1	1
327	Szilárd Páll	2	520	1	5
328	Nicholas M Glykos	4	515	2	1
329	Stephen C Harvey	8	513	5	3
330	Joachim Laun	5	512	1	1
330	John B O Mitchell	5	512	4	3
332	Alexander I Boldyrev	7	508	11	12
333	Vladimir G Malkin	4	503	5	4
333	Roberto D Lins	4	503	3	1
333	Xiaoqin Zou	8	503	2	2
333	Olga L Malkina	4	503	5	5
337	Gabriel Merino	8	501	3	4
338	John W Brady	1	497	13	2
339	Kim L Lavoie	2	496	17	5
340	Yaoqi Zhou	16	493	4	8
341	Dimitris K Agrafiotis	11	492	3	3
342	Yun Lin	1	491	20	1
342	Christian Bartels	4	491	1	2
344	Jeremy C Smith	13	486	6	10
344	Thomas S Hofer	13	486	4	1
346	William A Goddard	7	485	21	31
347	Michael F Crowley	2	484	14	4
347	Marcel Swart	6	484	7	5
349	Kevin J Naidoo	10	483	2	2
350	Yuji Sugita	14	479	5	7
350	Jordi Poater	8	479	5	6
350	Humbert González-díaz	8	479	7	5
353	William L Hase	3	478	15	8
354	Antonio Rodríguez-fortea	1	477	24	4
355	Amir Karton	10	476	5	5
356	Ferran Feixas	4	475	3	1
357	Lukasz Kurgan	4	470	11	6
358	Eduard Matito	4	469	8	5
359	George A Kaminski	9	466	1	2
360	Cherumuttathu H Suresh	17	464	3	7
360	Hao Tang	5	464	13	7
362	Evelio Francisco	7	462	6	8
363	Tamar Schlick	10	459	7	8
364	John Mongan	1	458	6	2
365	David M Ferguson	9	452	2	4
366	Patrick Bultinck	14	447	4	5
367	Jerzy Leszczynski	11	445	12	13
368	Peter Schwerdtfeger	9	441	13	13
369	Wei Wu	10	440	5	5
370	Milan Randi	16	439	4	5
370	Victor Guallar	3	439	14	3
372	Satoshi Maeda	9	438	8	7
373	Bernard Silvi	8	437	2	4
374	Ruhong Zhou	3	434	19	11
375	Chérif F Matta	10	432	2	3
376	Christoph Van Wüllen	8	430	2	4
377	Wim Klopper	7	427	9	10
378	Rebecca Sure	3	425	2	1
378	Michelle M Kuttel	4	425	2	1
380	Zhong-min Su	12	422	31	29
381	Christopher G Mayne	1	419	2	1
381	Piero Procacci	6	419	5	3
383	Stefan Boresch	8	417	2	3
384	Petr Bou	9	416	8	5
384	Robert S Fausto	1	416	12	1
386	Andrzej Kolinski	6	413	7	7
387	Martin Zacharias	14	411	3	5
388	Bernd Hartke	8	408	3	4
389	Siewert J Marrink	3	406	16	17
390	Paul M Zimmerman	6	405	6	4
391	Shridhar R Gadre	10	404	5	5
392	Hui Li	4	403	2	2
393	U Deva Priyakumar	5	402	4	1
393	Dariusz Plewczynski	2	402	24	6
395	Konrad Hinsen	4	400	4	2
396	Kunal Roy	2	397	38	8
397	Sarah L Price	3	391	14	12
398	Pedro Salvador	8	390	2	2
399	Wolfgang Quapp	11	387	3	2
399	Nathan A Baker	4	387	4	5
401	Oleg V Tsodikov	1	386	13	1
401	M Thomas Record	1	386	11	6
403	Stefano Corni	4	384	13	5
404	Yang Zhang	1	382	21	12
404	Supratik Kar	1	382	21	3
406	Thomas Simonson	16	381	1	3
407	Trond Saue	3	378	6	4
408	Runfeng Chen	1	375	32	10
409	Xin Xu	19	371	2	10
410	Viktória Goldschmidt Gőz	11	366	1	1
411	Clara D Christ	2	365	2	1
412	Trygve Helgaker	7	364	9	10
413	Atsuko Ikenouchi	1	362	10	1
413	Camilo Aponte-santamaría	1	362	8	1
415	Alberto Vela	4	361	8	4
416	Sheng-you Huang	3	360	6	6
416	Robert Ponec	9	360	2	3
418	Matthew P Jacobson	2	355	22	16
418	Renxiao Wang	2	355	9	7
418	Michel Dupuis	5	355	3	5
421	Celestino Angeli	7	352	5	6
422	Bernd Engels	16	350	5	6
423	Rohit V Pappu	2	349	17	16
424	Irina S Moreira	2	348	9	2
425	Michele Parrinello	3	347	18	24
426	Julien Pilm	7	346	1	1
427	Kwang S Kim	8	345	19	38
428	Michael Bühl	3	344	14	5
428	Michel Rérat	4	344	12	6
430	Massimiliano Bonomi	2	343	9	7
430	Qingru Wu	1	343	23	8
432	Wolf Gero Schmidt	13	342	4	4
433	Alfred D French	6	339	4	4
433	Henryk A Witek	4	339	4	3
433	Thomas Heine	2	339	45	26
433	Jonathan W Essex	8	339	4	5
437	Jaewoon Jung	7	337	1	1
437	Jooyoung Lee	2	337	5	1
439	James A Platts	3	336	20	7
440	Chigusa Kobayashi	5	334	2	1
441	Adam Liwo	17	330	3	8
442	Iñaki Tuñón	5	329	10	4
443	Eugenio Uriarte	6	328	11	9
443	Janet M Thornton	3	328	20	23
443	Massimo Marchi	3	328	6	4
446	Frank Schwarz	2	327	6	6
446	Samuel Genheden	4	327	4	3
448	Ilaria Ciofini	18	326	1	11
448	Thanh N Truong	4	326	5	3
450	Jonathan D Hirst	7	325	6	6
451	Robert A Evarestov	16	324	3	3
452	Jooyoung Lee	3	323	2	2
453	Haruki Nakamura	10	321	2	8
454	Francesc Illas	9	320	16	26
455	Rafał Augustyniak	1	319	1	1
455	Andreas Vitalis	1	319	7	2
457	David Poger	2	318	3	2
457	Carlo Gatti	5	318	6	9
459	Andrew R Leach	5	317	3	10
459	Richard Lavery	9	317	5	7
461	Juan Andrés	7	315	15	16
462	Philippe Derreumaux	4	312	7	9
462	Yuto Komeiji	6	312	3	3
464	Paul W Ayers	14	310	7	14
465	Lars V Schäfer	3	309	10	5
466	Tuo Zhang	2	308	9	6
466	Benedetta Mennucci	6	308	12	16
466	Mark P Waller	5	308	1	4
469	W Xu	1	306	18	4
469	B W Whitmore	1	306	20	8
469	Barry T Pickup	1	306	9	1
472	Shuanghong Huo	3	305	4	2
472	Irene Roberts	1	305	6	3
474	Claude Pouchan	7	304	5	2
475	Zaida Luthey-schulten	2	301	9	7
475	Arnim Hellweg	4	301	1	4
477	Guo-wei Wei	11	299	1	8
478	Hu-jun Qian	3	296	7	4
478	Johan ÅQvist	3	296	12	13
480	Ricardo A Mosquera	9	295	4	3
480	Angela K Wilson	8	295	5	9
480	Christoph R Jacob	5	295	4	3
483	Per E M Siegbahn	10	294	8	13
484	Guo-wei Wei	7	293	2	6
485	Andreas W Götz	8	292	3	4
486	Peter Comba	5	291	8	7
487	Rochus Schmid	4	288	8	5
487	Pratim Kumar Chattaraj	14	288	4	10
487	H Lee Woodcock	4	288	4	8
490	Attila G Császár	10	287	6	10
491	Carles Curutchet	5	286	4	3
491	Masato Kobayashi	7	286	2	2
491	Hsien-da Huang	7	286	4	13
494	Tetsuya Taketsugu	15	285	6	9
495	Xueguang Shao	7	284	13	7
495	Edward F Valeev	2	284	7	9
495	George C Shields	4	284	4	4
495	Uwe Huniar	1	284	3	2
499	Tzong-yi Lee	5	283	5	5
499	Wen Lai Huang	3	283	4	1
501	Zhong-yuan Lu	3	282	14	9
501	David R Bevan	1	282	20	4
503	Julien Pilm	9	281	1	1
504	Pedro J Ballester	1	280	15	5
505	Per-ola Norrby	4	279	11	8
505	Tiejun Cheng	1	279	7	5
505	Xun Li	1	279	5	3
505	Sang-jun Park	2	279	3	2
509	D Peter Tieleman	4	278	12	20
509	Israel Fernández	6	278	14	11
511	Andriy Kovalenko	2	276	11	6
511	Peter Politzer	5	276	14	25
513	Gerhard Hummer	2	275	25	25
513	Alexander P Lyubartsev	6	275	6	8
515	Michael Schindler	3	274	3	5
515	Takaharu Mori	5	274	1	4
515	You-liang Zhu	3	274	8	2
518	Mariusz Klobukowski	5	273	1	1
518	Yajun Zheng	3	273	5	3
520	Qiang Cui	5	272	9	11
521	Jaroslav V Burda	11	271	2	3
521	Michael Holst	1	271	7	1
521	Yingkai Zhang	3	271	9	7
521	Hong Liu	2	271	9	2
525	Michael Dolg	5	270	16	14
525	Jorge Barroso	2	270	9	8
527	Norio Yoshida	8	269	4	3
527	David E Hibbs	2	269	11	3
529	Huai Sun	4	268	4	4
530	Carlos Alemán	13	267	9	16
531	Pál Jedlovszky	2	265	9	5
531	György Hantal	2	265	4	2
533	Miquel Duran	7	264	3	7
534	Naoki Ohashi	1	263	53	13
535	Mikhail V Vener	1	262	18	5
535	Soohyung Park	3	262	4	3
535	Lee G Pedersen	9	262	2	8
535	Andrei V Churakov	1	262	50	8
539	Rollin A King	1	261	3	5
539	C Richard A Catlow	3	261	43	34
539	T Daniel Crawford	1	261	16	8
539	Jun-ya Hasegawa	8	261	4	4
543	Jerzy Cioslowski	5	260	4	3
543	Ian R Gould	5	260	2	3
545	Kaori Fukuzawa	4	259	7	4
546	David A Kofke	3	258	11	6
546	B Jayaram	6	258	2	8
546	Manuel Yáñez	8	258	7	7
549	Jiří Vondrášek	2	257	11	3
550	Antonino Carcione	1	256	17	9
550	Cezary Czaplewski	7	256	4	6
550	Ganesan Baranidharan	1	256	3	1
550	Andrei V Bandura	11	256	1	4
554	Christel M Marian	4	255	11	9
554	Robert Harrison	6	255	2	6
554	Aric A Prather	1	255	15	6
554	Otilia M	6	255	10	7
558	Jeffrey Skolnick	6	254	5	9
559	Thomas Frauenheim	2	253	31	16
559	Veronique Van Speybroeck	3	253	30	31
561	M N Agaras	1	252	39	13
561	G R Lee	1	252	49	11
561	F J Munoz Sanchez	1	252	42	15
564	Emilia Sicilia	12	251	2	4
564	Georg Schreckenbach	3	251	11	12
564	Roberto Improta	5	251	12	13
567	Charles H Reynolds	1	250	11	7
567	Prasad V Bharatam	10	250	3	5
569	Munir S Skaf	2	248	7	5
569	Jingping Zhang	15	248	3	13
569	Hiroshi Nakatsuji	7	248	4	7
569	Hisashi Okumura	10	248	2	2
573	Junichi Higo	8	247	1	3
573	Janet E Del Bene	11	247	4	8
573	Silvia Casassa	2	247	8	5
576	Shuhua Li	5	246	12	14
576	Andriy Kovalenko	3	246	5	6
578	Christopher A Reynolds	8	245	2	4
578	Yu A Tikhonov	3	245	19	10
580	Yoong-kee Choe	3	244	2	3
581	Yu-dong Cai	5	243	18	19
581	Robert J Deeth	6	243	5	10
583	Agustí Lledós	10	241	9	11
583	Jonathan M Goodman	1	241	27	11
583	Steve Scheiner	10	241	10	15
586	Y Okumura	1	240	43	8
586	Xavier Assfeld	8	240	4	4
588	Jan Wenzel	2	239	2	3
589	Edward J Anthony	1	238	37	16
589	Minh Tho Nguyen	11	238	12	17
589	Sonja Herres-pawlis	8	238	6	7
592	Christof Hättig	7	237	6	13
593	Ran Friedman	1	236	20	3
593	Angelo Felline	1	236	4	1
593	Pemra Doruker	2	236	8	6
593	Francesco Raimondi	1	236	9	2
593	Francesca Fanelli	1	236	28	6
593	Stefanie Muff	1	236	6	4
599	Petr Malo	2	235	3	2
600	Coen De Graaf	6	234	9	12
600	David A Pearlman	5	234	2	7
602	Leticia González	5	233	18	18
602	Wen-chi Chang	3	233	3	4
602	Klaus R Liedl	7	233	13	12
602	Justin Bo-kai Hsu	3	233	1	2
602	Yoshifumi Nishimura	6	233	6	7
607	Darrin M York	8	232	5	7
608	Edward J Maginn	3	231	15	18
609	Lyudmila V Slipchenko	4	230	5	9
609	Natalie Fey	4	230	6	5
611	Hermann Stoll	1	229	11	11
611	Chan Kyung Kim	13	229	2	3
611	Miroslav Kohout	6	229	3	5
611	Timothy A Keiderling	1	229	24	9
611	Soo Min Cha	1	229	14	2
611	Lucie Bednárov	1	229	15	1
617	Bobby G Sumpter	6	228	27	31
617	Antonio M Márquez	4	228	4	2
617	J L Alonso	4	228	19	15
620	Jordi Mestres	6	227	3	6
621	Ivet Bahar	1	226	36	18
621	Hans-joachim Werner	2	226	15	14
621	Sajid Ali	1	226	11	4
621	Robert L Jernigan	1	226	32	13
625	Marcus Elstner	4	225	6	8
626	Toon Verstraelen	3	224	6	4
626	Ke Chen	2	224	2	2
628	Rhys Heffernan	2	223	1	4
628	Mitsunori Ikeguchi	4	223	6	3
630	Takao Tsuneda	10	220	2	2
631	Lin Li	6	219	1	3
631	Sofie Van Damme	6	219	1	2
633	Elfi Kraka	9	218	9	18
633	Pierre Tuffery	2	218	6	5
635	Denis Usvyat	1	217	9	4
635	Bruce R Donald	3	217	4	6
635	Aurora E Clark	3	217	13	6
635	Martin Schütz	1	217	15	9
635	Carmen Herrmann	12	217	1	5
640	Zhan-wei Li	1	216	9	1
640	Miguel A Méndez-rojas	1	216	16	2
642	Zhong-zhi Yang	9	215	3	3
643	Jan ŘEz	4	214	5	8
643	Fernanda Borges	4	214	16	15
645	Andreas M Köster	6	213	4	2
646	Eshel Faraggi	1	212	4	2
646	Andrew L Ferguson	2	212	16	7
648	Andrey A Toropov	5	211	18	11
648	Yifan Song	1	211	2	1
648	Zhongfang Chen	4	211	18	30
648	Emilio Benfenati	5	211	27	18
648	Alla P Toropova	5	211	13	11
648	Vytautas Gapsys	2	211	7	7
648	Paulo C T Souza	2	211	8	7
648	M R Gunner	1	211	11	5
656	Massimiliano Bartolomei	6	210	5	4
656	Daniel Seeliger	1	210	3	2
658	David Casanova	6	209	8	12
658	Yinglong Miao	4	209	6	6
660	Takeshi Ishikawa	4	208	3	2
661	M Michael Gromiha	4	205	18	10
661	Jijun Zhao	5	205	34	41
663	Neetha Mohan	4	204	1	2
663	Jane S Murray	4	204	11	19
665	Mahmoud A A Ibrahim	1	203	25	2
666	G Narahari Sastry	9	202	3	11
667	Louis Vanduyfhuys	2	201	5	2
667	Heather J Kulik	3	201	15	17
667	Krzysztof Wolinski	4	201	1	3
667	Masahiro Ehara	10	201	6	8
667	Gabriel Merino	7	201	6	11
667	Mikko Karttunen	1	201	63	29
673	Roman A Laskowski	2	200	12	15
673	Robin Taylor	1	200	11	13
673	Yasuteru Shigeta	12	200	7	8
676	Maurizio Persico	5	199	8	12
676	David E Shaw	1	199	22	21
678	Jean Christophe Tremblay	4	198	6	2
678	Bryan M Wong	7	198	6	12
680	Josep M Luis	5	197	11	10
681	Tatsuya Nakano	3	196	2	2
681	Kazuya Ishimura	5	196	1	1
683	Ying Xue	12	195	1	3
683	José D L Dutra	1	195	13	1
685	Yu Harabuchi	4	194	4	2
686	Jiří Kolafa	1	193	11	4
686	Milan Hodošček	1	193	3	1
686	K N Houk	5	193	19	24
689	Fangqiang Zhu	1	192	7	3
689	Dorota Formanowicz	1	192	18	2
689	James P Finley	1	192	4	2
689	Louis Lagardère	3	192	5	3
689	Livia B Pártay	1	192	8	2
694	Marcos Mandado	6	191	4	4
695	Vincent Tognetti	4	190	6	4
695	Wojciech Plazinski	4	190	5	5
697	Julien Maupetit	1	189	4	5
697	Wolfram Koch	7	189	8	8
697	Marcos Raydan	2	189	9	3
697	Noam Agmon	1	189	19	10
701	Michiel R Van Den Broeke	1	188	43	31
702	Gunter Hermann	3	187	1	1
702	Neeraj Sharma	1	187	1	1
702	Vincent Pohl	3	187	1	1
705	Reinhold F Fink	7	186	4	7
706	Sebastian Höfener	7	185	3	4
707	David P Tew	2	184	11	9
707	P Carbonnière	1	184	4	1
709	Shant Shahbazian	2	183	8	4
709	M Shaheer Akhtar	1	183	77	27
709	Manuel F Ruiz-lópez	5	183	10	5
709	Thereza A Soares	2	183	5	6
709	Jens Oddershede	1	183	8	8
714	Yuji Mochizuki	6	182	6	6
714	David Danovich	4	182	7	14
716	Martin Quack	2	181	21	19
716	Rainer Koch	1	181	20	2
718	Kenichiro Saita	3	180	2	1
718	Dimas Suárez	6	180	5	3
718	Yu Takano	9	180	2	5
718	Maykel Cruz-monteagudo	3	180	1	2
722	Mark A Spackman	3	179	14	17
722	Sereina Riniker	4	179	7	9
724	Leonid Gorb	7	178	6	10
724	Toyokazu Ishida	3	178	2	4
726	Di Wu	5	177	10	11
727	Yong Wu	5	176	5	5
727	Navdeep Goyal	1	176	3	1
729	Seung Kyu Min	2	175	7	7
729	Leo Radom	7	175	10	17
729	Kimichi Suzuki	2	175	2	1
729	Pieter F W Stouten	1	175	8	4
729	Paul Fleurat-lessard	4	175	7	4
734	Ivari Kaljurand	1	174	8	6
734	Markus Meuwly	5	174	9	10
734	Hsin-tsung Chen	4	174	9	4
734	Agnes Kütt	1	174	6	5
734	Ivo Leito	1	174	33	16
734	Jean-didier Maréchal	7	174	1	4
740	Antonio Lagan	5	172	7	5
741	Andreas Savin	2	171	15	13
742	Juan I Rodríguez	3	170	3	2
742	Nicolae Goga	1	170	1	1
744	Marcus Lundberg	4	169	3	5
744	A M Soukharev	1	169	36	20
744	Ali M Niknejad	1	169	7	4
744	Xiangyuan Li	12	169	2	4
748	Yi Luo	6	168	25	46
748	Jean-luc Fattebert	1	168	5	4
748	Francois Gygi	1	168	12	10
748	Donna M Muzny	1	168	53	45
748	Pawel M Kozlowski	2	168	12	8
748	Ilia A Solov’yov	6	168	5	6
748	Elona Dashi	1	168	1	1
748	Robert K Szilagyi	5	168	5	7
756	Raymond J Abraham	4	167	7	3
756	José M Lluch	12	167	6	10
756	Marcia O Fenley	4	167	2	3
756	Benoît Champagne	5	167	16	16
760	Kenneth Ruud	6	166	10	16
761	Wei Chen	1	165	2	2
761	Christoph Loschen	2	165	1	1
763	Maria Kontoyianni	3	164	1	2
763	Giovanna Valenti	1	164	10	5
763	Efthimios Kaxiras	1	164	37	26
763	Kelin Xia	5	164	3	3
767	Bart M H Bruininks	1	163	1	2
767	Karsten Krogh-jespersen	5	163	2	2
767	Chung F Wong	7	163	2	3
767	Joshua A Hill	1	163	10	5
767	Pin-chia Hsu	1	163	3	1
767	Tomoo Miyahara	3	163	2	1
767	Stephan Irle	6	163	13	20
774	Thomas E Exner	2	162	5	6
774	Fausto Cargnoni	1	162	10	3
774	Luca Bertini	1	162	17	6
777	Lorenzo Rovigatti	2	161	11	7
777	Wolfgang Wenzel	8	161	8	16
777	Haruyuki Nakano	7	161	3	6
777	Flavio Romano	2	161	6	7
777	Petr ŠUlc	2	161	6	6
777	Ryoichi Fukuda	9	161	2	3
777	Peter L Cummins	5	161	1	1
784	Peter R Schreiner	6	159	17	26
785	Hao Lin	1	158	38	21
785	Piero Ugliengo	2	158	26	19
785	Qian-zhong Li	1	158	10	5
785	Farnaz Heidar-zadeh	4	158	2	1
785	Federico Canzian	1	158	51	26
785	Jianhan Chen	8	158	1	9
785	Miquel Garcia-ratés	3	158	1	1
792	Bojan Zagrovic	1	157	11	9
793	Rafael Islas	3	156	2	7
793	Daiqian Xie	10	156	5	8
793	Peng Gao	1	156	57	31
793	Xavier Rozanska	2	156	4	5
793	Wenjian Liu	7	156	3	8
793	Andrew Palii	4	156	9	6
793	Shigenori Tanaka	5	156	6	8
800	Liqun Zhang	1	155	97	60
800	David J Willock	1	155	46	35
800	Andrey V Solov'yov	4	155	6	8
803	Qiming Sun	1	154	4	7
804	Joanna Trylska	4	153	6	4
804	N L Woods	1	153	27	18
804	Koichi Tamura	2	153	1	1
804	Mihaly Mezei	5	153	7	6
804	Wenlan Liu	4	153	1	3
809	Mark Matthews	1	152	47	23
809	Oleg Borodin	3	152	21	36
811	Sérgio F Sousa	4	151	4	6
811	Martin Kleinschmidt	1	151	6	2
811	Fernando Pirani	4	151	15	15
814	Ryuhei Harada	8	150	3	1
814	Benedict Leimkuhler	1	150	6	2
814	Young Min Rhee	3	150	9	11
814	Miquel Torrent-sucarrat	3	150	4	7
818	Mirosław Jabłoński	8	149	3	2
818	Yi-gui Wang	4	149	2	1
818	Michio Katouda	6	149	1	2
818	Haibo Yu	4	149	3	10
818	Makoto Taiji	4	149	3	5
818	Andrea Lombardi	3	149	8	5
818	Rong-zhen Liao	2	149	17	9
818	Yu-yen Ou	3	149	7	4
818	Yasuhiro Matsunaga	1	149	9	2
827	Hongjun Xiang	1	148	21	14
827	Narutoshi Kamiya	5	148	3	6
827	Dimitrios A Pantazis	2	148	13	14
827	Myung-hwan Whangbo	1	148	41	19
831	Chang-guo Zhan	5	147	14	16
831	Andreas Windemuth	1	147	6	8
831	José Elguero	3	147	64	69
831	Kathleen A Durkin	3	147	4	6
835	Shoji Takada	2	146	15	10
835	Shasha Lu	1	146	22	20
835	Dongwook Kim	1	146	16	8
835	Ronald M Clouse	1	146	4	2
835	Jian Wan	6	146	2	5
840	Gustavo Scuseria	3	145	11	20
841	Van V Vu	4	144	6	14
841	Son Tung Ngo	4	144	7	5
841	Klaus Ruedenberg	3	144	7	8
844	Gisbert Schneider	9	143	10	37
844	Masahiro Kinoshita	6	143	5	6
844	Beate Paulus	6	143	1	1
847	Martin Rahm	2	142	12	5
847	Weihua Zhu	3	142	15	8
847	Igor Ying Zhang	5	142	2	6
847	Carlos Jaime	2	142	11	3
847	Emili Besal	5	142	2	3
852	Bo Durbeej	4	141	3	4
852	Nisanth N Nair	11	141	1	4
854	Ryan P Steele	1	140	6	5
854	Robert A Distasio	1	140	15	15
854	M Natália D S Cordeiro	4	140	16	15
854	Yoshihiko Susuki	1	140	11	3
858	Alexey Savelyev	1	139	5	4
858	Adrian H Elcock	1	139	16	12
858	Axel Gro	1	139	37	25
861	Gregory K Pierens	1	138	7	2
861	Gilles Ohanessian	2	138	11	5
861	Jong-won Song	9	138	2	2
861	Ming-chang Lin	2	138	14	13
865	Prabal K Maiti	2	137	18	15
865	Werner Reckien	1	137	6	2
865	Masahiko Hada	11	137	3	7
868	Abdul Sattar	1	136	16	6
868	Abdollah Dehzangi	1	136	12	7
868	Irene Nobeli	2	136	3	4
868	Alok Sharma	1	136	21	12
868	Max L Berkowitz	1	136	13	12
868	Roy L Johnston	4	136	11	21
874	X W Zhou	3	135	6	4
874	Alejandro Gaita-ariño	3	135	6	10
874	José J Baldov	3	135	5	5
874	Friedhelm Bechstedt	2	135	28	20
878	Yun Geng	2	134	14	7
878	Takuma Yagasaki	1	134	7	5
878	Masakazu Matsumoto	1	134	12	6
878	J Ulises Reveles	1	134	1	1
878	Hideki Tanaka	1	134	14	12
878	Riccardo Chelli	3	134	7	7
884	Efthymios I Ioannidis	1	133	2	2
884	Ahmet Altun	2	133	6	5
884	Chin-kun Hu	6	133	10	12
884	Salvador Cardona-serra	4	133	2	6
884	Hyun Jae Kim	6	133	15	34
884	Stijn Fias	3	133	5	6
884	Terry Z H Gani	1	133	3	2
891	Duan Chen	1	132	4	2
891	Weihua Geng	1	132	5	4
891	Richard H Henchman	4	132	4	8
891	Mark A Murcko	5	132	3	11
891	Xuhui Huang	5	132	9	15
891	Hai-bin Li	1	132	10	6
891	Markus A Lill	3	132	8	10
891	Genyuan Li	4	132	3	4
891	Changwei Wang	4	132	1	2
900	Maurizio Sironi	3	131	4	7
900	Anne Imberty	2	131	30	35
900	Tomoshi Kameda	1	131	16	3
900	Neeraj Rai	2	131	5	3
900	Tsuyoshi Terakawa	1	131	6	5
900	Zhi-ru Li	4	131	9	12
900	Hong-liang Xu	4	131	5	7
900	Wataru Shinoda	3	131	11	11
900	Juan Cortés	3	131	3	4
900	Yanli Zeng	8	131	2	3
900	Zexing Cao	7	131	12	15
911	Peter Güntert	1	130	34	20
911	Matthew A Addicoat	4	130	12	17
911	Shandar Ahmad	2	130	13	7
911	Hiroki Kaneko	2	130	2	2
911	Kazuo Kuwata	1	130	12	6
911	Martin Billeter	1	130	14	8
911	Kurt Wüthrich	1	130	24	21
911	Yovani Marrero-ponce	6	130	5	6
919	René De Gelder	2	129	24	13
919	Yong-seok Jang	2	129	3	3
919	Ngels González-lafont	8	129	2	4
919	Michel Caffarel	4	129	5	8
919	Minoru Sakurai	7	129	2	5
924	Liang Yang	1	128	4	1
924	Rafael Najmanovich	1	128	10	7
924	Eugenio Garribba	2	128	17	20
924	Niall J English	4	128	12	16
924	Eran Eyal	1	128	3	6
929	Asit K Chandra	6	127	3	4
929	Russell J Boyd	8	127	8	11
929	Franck Jolibois	1	127	9	3
929	Alessandro Erba	5	127	5	10
929	Bjørn Olav Brandsdal	1	127	10	6
929	David L Cooper	2	127	23	16
929	Michel Masella	5	127	3	3
929	Juan E Peralta	4	127	6	11
929	S R Wilson	2	127	10	10
938	Akifumi Oda	2	126	11	1
938	Alan Wee-chung Liew	2	126	10	9
938	Noriyuki Yamaotsu	2	126	6	3
938	Arghya Chakravorty	4	126	1	1
938	Maria M Reif	4	126	2	3
938	Ghazaleh Taherzadeh	2	126	1	1
944	Viktorya Aviyente	2	125	17	6
944	Paolo Lazzeretti	10	125	7	17
944	Juha Vaara	2	125	12	11
944	Bülent Balta	2	125	1	1
944	Jian-min Yuan	1	125	6	2
944	Takashi Honda	1	125	22	13
950	Guangtao Yu	3	124	5	13
950	Yoshifumi Fukunishi	5	124	3	5
950	Valentina Tozzini	2	124	7	9
950	Shin-pon Ju	3	124	14	9
950	Dongsheng Cao	1	124	25	15
950	Stephan P A Sauer	8	124	7	13
956	Jesus M Ugalde	4	123	14	18
956	Sudip Pan	4	123	7	22
956	Fernando Cortés-guzmán	3	123	4	5
956	Rafael López	6	123	1	1
960	Peter H M Budzelaar	2	122	12	9
960	Walter C Ermler	2	122	3	3
960	Andreas Plückthun	1	122	59	42
963	Douglas L Theobald	2	121	4	7
964	Alston J Misquitta	1	120	7	10
964	Gábor I Csonka	6	120	3	10
964	Felix Studt	1	120	23	28
964	Felix Tuczek	1	120	18	13
964	Jason Locklin	1	120	16	14
964	Roland Faller	1	120	23	12
964	Ron Shepard	5	120	3	10
964	Bo Liao	4	120	4	3
964	Shinn-ying Ho	1	120	15	11
964	Krzysztof Szalewicz	1	120	17	15
964	Jenna A Bilbrey	1	120	4	2
964	Eloy Ramos-cordoba	1	120	8	4
964	Axel D Becke	2	120	3	3
964	István Mayer	1	120	3	2
964	Roberto A Boto	1	120	4	4
964	Betsy M Rice	1	120	16	10
964	Julia Contreras-garcía	1	120	20	11
964	Bahram Hemmateenejad	4	120	15	19
964	Wei Quan Tian	1	120	16	2
964	Bo Meng	1	120	20	21
984	Gokhan Zengin	1	119	70	37
984	Nikolay K Balabaev	2	119	11	3
984	Arpita Varadwaj	6	119	2	7
984	Brian Yoo	1	119	4	2
984	Ryan Gotchy Mullen	1	119	2	1
984	Andrew S Paluch	1	119	14	3
984	Sunil Kumar Mishra	2	119	4	1
984	Wei Chen	2	119	7	16
984	Jindal K Shah	1	119	10	7
984	Alexander Yakubovich	1	119	7	1
984	Pradeep R Varadwaj	6	119	2	7
984	Sandip Khan	1	119	5	1
984	Sergei F Vyboishchikov	6	119	2	9
984	Helder M Marques	6	119	6	15
984	Tamás A Martinek	1	119	12	6
999	Anan Wu	4	118	1	3
999	Edward G Hohenstein	1	118	8	8

Scientometrics

Overviews

Citing Bodies

Journal of Computational Chemistry

Computational Chemistry

Top Authors (by citations)