Journal of Computational Chemistry

2.8(top 20%)

impact factor

7.6K(top 2%)

papers

684.6K(top 1%)

citations

252(top 1%)

h-index

2.9(top 20%)

impact factor

9.8K

all documents

725.7K

doc citations

737(top 0.1%)

g-index

Top Authors (by citations)

#	Author	Articles	Citations	R ARank	R CRank
1	Stefan Grimme	9	45,159	10	2
2	Sebastian Ehlert	7	40,670	10	2
3	Arthur J Olson	4	40,282	3	1
4	Thomas E Ferrin	1	37,095	14	1
5	David A Case	12	28,694	4	1
6	Berk Hess	3	27,901	5	1
7	Alexander D Mackerell	35	24,510	3	1
8	Tian Lu	5	23,400	4	1
9	Junmei Wang	7	22,999	4	1
10	Feiwu Chen	2	21,831	1	1
11	Tian Lu	1	21,818	2	1
12	Mark S Gordon	10	19,495	5	1
13	Jan H Jensen	7	19,420	6	1
14	Mark Gordon	5	19,388	5	1
15	Kim Baldridge	3	19,053	20	1
16	Shiro Koseki	2	19,036	7	1
17	Theresa L Windus	3	19,024	5	1
18	John A Montgomery Jr	1	19,020	8	1
18	Jerry A Boatz	1	19,020	7	1
18	Kiet A Nguyen	1	19,020	6	1
18	Stephen T Elbert	1	19,020	8	1
22	David Goodsell	3	18,738	12	1
24	Garrett M Morris	2	18,704	9	1
25	Alan E Mark	9	17,866	8	1
26	Richard K Belew	2	16,884	2	1
27	Michel F Sanner	3	16,878	2	1
28	Lars Goerigk	5	16,210	3	1
29	Bernard R Brooks	8	16,065	4	1
30	Stephan Ehrlich	1	15,980	2	2
31	Klaus Schulten	2	15,827	12	2
31	James C Phillips	2	15,827	3	1
33	Emad Tajkhorshid	4	15,821	14	1
34	James C Gumbart	4	15,631	6	1
35	Robert D Skeel	4	15,563	2	1
36	Charles L Brooks	29	15,509	1	1
37	Christophe Chipot	3	15,251	9	1
38	Rosemary I Braun	1	15,208	8	1
38	Laxmikant V Kalé	1	15,208	4	1
38	Elizabeth Villa	1	15,208	12	1
38	Laxmikant Kale	1	15,208	2	1
42	Romain M Wolf	1	14,342	10	1
43	Gerrit Groenhof	5	14,138	4	1
44	David van der Spoel	4	13,876	7	2
45	Erik R Lindahl	4	13,817	6	3
46	Ray Luo	8	12,548	5	1
47	Evert Jan Baerends	8	12,501	13	2
48	James J P Stewart	4	12,363	2	2
49	Kenneth M Merz Jr	18	11,744	5	2
50	Friedrich Matthias Bickelhaupt	25	11,356	2	1
51	Alexander D Mackerell Jr	24	10,507	1	1
52	Célia Fonseca Guerra	12	10,089	2	1
53	Vicenzo Barone	26	9,990	8	2
55	Robert J Woods	6	9,903	4	1
56	Wonpil Im	24	9,576	2	1
57	Alexey V Onufriev	4	8,692	4	1
59	Holger Gohlke	7	8,660	6	1
60	Maurizio Cossi	8	8,643	4	1
61	Charles L Brooks Iii	29	8,448	1	1
62	Thomas E Cheatham	4	8,396	9	2
63	Emilio Martinez-Nunez	8	8,275	6	2
65	Sunhwan Jo	7	7,966	2	1
66	Lennart Nilsson	9	7,922	3	1
67	Carlos L Simmerling	3	7,847	6	2
68	Benoı̂t Roux	11	7,659	8	1
69	Stefan Boresch	9	7,481	2	1
70	Henry Lee Woodcock	5	7,357	4	1
71	Amedeo Caflisch	6	7,344	8	1
72	Darrin M York	9	7,308	5	2
73	Emanuele Paci	4	7,191	7	1
74	Tim Clark	15	7,174	6	1
75	Bruce Tidor	2	7,157	12	1
76	Christian Bartels	3	7,146	1	1
77	Jingzhi Pu	1	7,077	10	1
78	H Bernhard Schlegel	9	7,051	5	2
79	Nadia Rega	8	7,047	3	1
80	Wilfred F Van Gunsteren	29	6,972	1	1
81	Giovanni Scalmani	6	6,969	3	2
82	Robert H Swendsen	2	6,464	15	2
83	Leandro Martinez	3	6,395	3	1
84	Jose Mario Martinez	2	6,387	21	1
85	Ricardo Andrade	1	5,831	1	1
85	Ernesto Julián Goldberg Birgin	1	5,831	19	1
87	Kenneth B Wiberg	12	5,591	5	2
88	Taehoon Kim	2	5,422	2	1
89	Pedro E. M. Lopes	2	4,783	4	1
90	Karol M Langner	2	4,774	1	1
91	Noel M O'boyle	1	4,766	5	2
92	Igor V Vorobyov	1	4,718	8	1
92	Subhas C Kundu	1	4,718	45	1
94	Michael Feig	10	4,489	5	1
95	Chris Oostenbrink	19	4,439	1	1
96	Yong Duan	4	4,312	6	1
97	Chun Wu	2	4,187	13	1
98	Frank Weinhold	17	4,082	3	4
99	Christopher I Bayly	2	4,034	2	3
100	Wei Zhang	1	4,028	3	1
101	Wayne C Guida	5	3,973	2	1
102	Mark A Lipton	2	3,947	3	1
103	Richard Dronskowski	20	3,946	5	1
104	Rob M J Liskamp	1	3,727	40	1
105	Markus Reiher	13	3,652	5	2
106	Alessandra Villa	4	3,528	2	1
107	Volker L Deringer	4	3,508	6	1
108	Graeme A Henkelman	2	3,337	25	4
109	William L Jorgensen	20	3,305	6	5
110	Roger Smith	1	3,175	28	1
111	Andrei L Tchougréeff	8	3,037	2	1
112	Roland H Lindh	11	3,025	4	2
113	Stefan Maintz	3	2,978	1	1
114	Nicolas Ferré	3	2,926	8	1
115	Francesco Aquilante	4	2,873	3	1
116	Thomas B Pedersen	3	2,869	5	2
117	Valera Veryazov	4	2,841	2	1
118	Per-Åke Malmqvist	3	2,837	4	2
119	Luca De Vico	2	2,802	7	1
120	Martin J Field	4	2,730	1	1
121	Jing Huang	4	2,727	5	2
122	Matthew Clark	1	2,695	4	1
123	Philippe Ayala	1	2,592	2	1
124	Jumin Lee	7	2,572	1	2
125	Vitaly A Rassolov	3	2,564	5	4
126	Donald G Truhlar	12	2,510	17	14
127	Philippe H Hünenberger	13	2,509	3	1
128	David F Feller	4	2,457	7	3
130	Yifei Qi	13	2,386	5	3
131	Oliver Beckstein	2	2,243	4	1
132	Michael K Gilson	10	2,173	5	2
133	Jay W Ponder	11	2,145	2	2
134	Niles A Pierce	5	2,080	1	1
135	Huan Rui	2	2,026	2	1
136	Vincent Zoete	6	2,002	3	3
137	Chun Wei Yap	2	1,992	7	1
138	Roberto Dovesi	15	1,958	4	2
139	Mark A Ratner	2	1,947	26	7
140	Aurélien Grosdidier	4	1,943	1	2
141	Emilio Gallicchio	11	1,936	1	1
142	Juan Luis Pascual-Ahuir	6	1,908	1	1
143	Jeffery B Klauda	3	1,856	7	4
144	Karl N Kirschner	3	1,851	3	1
145	Ronald M Levy	11	1,836	2	1
146	Wolfgang Damm	3	1,832	3	2
147	Viviana Monje-Galvan	2	1,814	3	1
148	Xi Cheng	1	1,802	6	1
150	B Lachele Foley	1	1,778	2	1
150	Jorge Gonzalez-Outeirino	1	1,778	2	1
152	Feliu Maseras	6	1,748	12	2
153	Hans Lischka	9	1,735	8	3
154	A-R Allouche	2	1,730	17	1
155	Thomas Bredow	17	1,729	1	1
156	Anthony Nicholls	4	1,714	2	4
157	Sergey Vyazovkin	2	1,685	20	3
158	Eric D Glendening	6	1,629	2	1
159	Piotr Cieplak	5	1,625	2	4
160	Alessandro Soncini	3	1,603	7	1
161	Clark Landis	5	1,595	4	2
162	Russell Anderson	1	1,583	5	1
162	Nicholas F Chilton	1	1,583	15	1
162	Lincoln D Turner	1	1,583	6	1
162	Keith S Murray	1	1,583	20	1
166	Maxim Totrov	4	1,566	3	1
167	Michal Vieth	4	1,565	2	1
168	Michal Pitoňák	2	1,549	6	1
169	Pavel Hobza	13	1,535	12	11
170	Ruben Abagyan	2	1,513	14	1
171	Roberto Cammi	10	1,500	4	5
172	Michel A Cuendet	1	1,485	7	1
172	Giovanni Ghigo	1	1,485	12	1
174	Massimo Olivucci	4	1,478	12	3
175	Michael Gilson	6	1,465	4	3
176	Mickaël G Delcey	4	1,458	4	1
177	Felix Plasser	5	1,453	6	3
178	F Javier Luque	26	1,436	2	3
179	Jochen Autschbach	2	1,416	26	4
180	Sebastian Mai	2	1,412	9	2
181	Ignacio Fdez Galván	6	1,404	4	1
182	Claudio M Zicovich-Wilson	5	1,395	9	1
183	Kim A Sharp	6	1,387	6	3
184	Marco Garavelli	4	1,375	14	2
185	Henry Chermette	6	1,370	10	1
186	Luis Manuel Frutos Gaite	2	1,357	10	1
187	Steven Vancoillie	2	1,352	3	1
188	Ivan Rivalta	2	1,350	12	1
189	Artur Nenov	3	1,345	10	1
190	Fabien Pascale	6	1,344	1	1
191	Barry Honig	2	1,341	14	2
192	Miquel Solà	25	1,325	5	5
193	Igor Schapiro	2	1,324	13	1
194	Liviu Ungur	1	1,317	16	5
194	Laura Gagliardi	1	1,317	35	6
194	Oliver Weingart	1	1,317	16	1
194	Daoling Peng	1	1,317	3	1
194	Alessio Valentini	1	1,317	3	1
194	Rebecca K Carlson	1	1,317	6	1
194	Javier Segarra-Martí	1	1,317	10	1
194	Giovanni Li Manni	1	1,317	7	2
194	Angelo Giussani	1	1,317	7	1
194	Liviu F Chibotaru	1	1,317	26	6
194	Chad E Hoyer	1	1,317	4	1
194	Thomas Müller	1	1,317	9	1
194	Richard F W Bader	1	1,317	12	4
194	Felipe Zapata	1	1,317	2	1
208	Daniel H Robertson	1	1,299	6	2
209	Brian K Shoichet	2	1,293	16	8
210	Justin S Bois	1	1,289	2	1
211	Julian Tirado-Rives	6	1,277	5	4
212	Frank Neese	12	1,276	10	14
213	Florian Müller-Plathe	6	1,274	5	2
214	Modesto Orozco López	22	1,242	3	7
215	Michael Florian Peintinger	4	1,218	1	1
216	J Andrew Mccammon	16	1,195	8	12
217	Ramy Farid	1	1,194	4	3
218	Walter Thiel	27	1,184	8	11
219	Werner Braun	4	1,183	7	2
220	Harold A Scheraga	28	1,165	4	5
221	Peter Pulay	22	1,158	2	4
222	Arieh Warshel	4	1,123	7	8
223	Arup K Ghose	3	1,107	2	2
224	Iñaki Tuñón	6	1,085	7	2
225	Dmitri G Fedorov	12	1,071	4	3
226	Dirk Reith	1	1,067	13	1
227	Peter M W Gill	8	1,062	7	5
228	Sandeep Patel	10	1,059	2	1
229	Wendy D Cornell	3	1,048	1	2
230	Pengyu Ren	9	1,036	3	4
231	Ramon Carbó-Dorca i Carré	22	1,026	2	3
232	Robert Fraczkiewicz	2	1,024	2	1
233	C David Sherrill	4	1,014	9	8
234	Peter J Steinbach	1	1,002	8	2
235	YIhan Shao	6	991	5	4
236	Michelle M Francl	1	984	9	3
237	Frank Eisenhaber	2	977	19	5
238	Nohad Gresh	26	967	1	1
239	Shalom Rackovsky	4	961	3	1
240	Arnie Hagler	5	954	2	3
241	Eugenio Coronado	6	925	24	9
241	Juan M Clemente-Juan	6	925	9	3
243	Paola Gramatica	7	920	2	5
244	Anna I Krylov	7	877	8	8
245	Emil Alexov	10	872	3	2
246	Helmut Grubmüller	8	871	3	6
247	Martin Head-Gordon	4	862	17	14
248	Ulf Ryde	12	859	6	6
249	Lorenzo Maschio	12	856	6	4
250	Bartolomeo Civalleri	5	854	7	7
251	Xavier Daura	3	840	6	3
252	Ricardo O Freire	3	836	11	1
253	Bert L De Groot	5	823	6	8
254	Ke-Li Han	10	817	13	12
254	Johannes Neugebauer	7	817	4	2
256	Lukas D Schuler	1	814	3	1
257	Nathan A Baker	6	800	3	4
258	Francisco Lopez Gejo	1	796	1	1
259	Qinxue Chen	1	794	4	2
260	Yirong Mo	14	789	3	4
260	Jiali Gao	10	789	4	8
262	Chris Sander	1	785	46	32
262	Philip Lijnzaad	1	785	6	2
264	Jan M L Martin	12	784	6	6
265	K Anton Feenstra	2	783	5	1
266	Jean-Philip Piquemal	22	776	2	2
267	Heather A Carlson	4	772	6	2
268	Wenbo Yu	3	752	2	1
270	Ting-Jun Hou	2	750	34	8
272	Chaok Seok	8	747	3	3
273	Maria J. Ramos	15	746	4	4
274	Markus Christen	2	740	1	1
275	Edward F C Byrd	3	734	5	3
276	John E Stone	2	731	4	4
276	David J Hardy	2	731	2	2
278	Joachim Sauer	5	728	17	13
279	Russo Nino	19	723	6	9
280	Antonio Frontera	3	721	39	13
281	Richard A Friesner	10	720	4	13
282	Sason Shaik	11	717	8	10
283	Nilesh K Banavali	2	711	7	2
283	Elmar Krieger	1	711	2	3
285	J Raul Alvarez-Idaboy	6	709	7	1
286	Daan P Geerke	4	705	2	1
287	Yaoqi Zhou	14	697	4	5
288	Dennis R Salahub	4	692	9	6
289	Ödön Farkas	4	688	3	1
290	Thomas R Furlani	2	684	1	3
291	Hiromi Nakai	29	682	3	3
292	Nicholas A Besley	5	681	8	5
293	György G Ferenczy	9	680	1	1
294	Gerd B Rocha	6	679	2	1
294	Pedro Alexandrino Fernandes	12	679	6	3
296	Saeedreza Emamian	1	678	10	1
296	Holger Kruse	1	678	9	2
298	Christopher Cramer	9	676	15	20
299	Pere Alemany	6	671	6	5
300	Annia Galano	4	662	13	6
301	Michele Pavone	2	661	12	1
302	Carlo Adamo	21	660	7	9
302	Christian Ochsenfeld	3	660	9	7
302	Fumio Hirata	7	660	6	5
302	Martin Kaupp	7	660	14	9
306	Xibing He	1	659	9	1
307	Jill E Gready	19	657	1	2
308	Daniel Forrer	1	653	5	1
308	Maurizio Casarin	1	653	20	1
308	Trent E Balius	4	653	1	1
308	Mauro Sambi	1	653	15	1
308	Robert C Rizzo	4	653	2	1
308	Andrea Vittadini	1	653	20	4
314	Alfredo M Simas	3	652	12	2
315	Kimihiko Hirao	20	639	4	3
316	Jan Florian	2	635	11	4
316	Jean-Louis Rivail	4	635	1	1
318	Troy Van Voorhis	2	633	11	7
319	Lucas Visscher	12	631	4	4
319	Walter Rocchia	1	631	11	2
321	Angel Martín Pendás	12	630	5	6
322	Florian Weigend	3	629	12	7
323	Sudipto Mukherjee	3	628	1	1
324	Yuedong Yang	12	626	2	2
325	Paul R Rablen	1	623	8	3
326	Marek Sierka	9	621	3	5
327	Jiří Černý	1	620	16	2
328	Peter L Freddolino	1	619	14	3
329	Aaron M Lee	1	617	8	3
329	Naoto Ishikawa	1	617	12	4
329	Chao-Ping Hsu	1	617	20	4
329	Steven Gwaltney	1	617	8	4
329	David Sherrill	1	617	1	1
335	Wei Wang	1	615	1	3
335	Youyong Li	1	615	63	14
335	Wei Wang	1	615	9	1
338	Evangelos A Coutsias	5	614	1	1
339	Benoit Roux	12	608	9	16
340	Henry F Schaefer	18	607	11	13
341	Eric Hénon	2	604	1	2
341	Peter Eastman	3	604	1	3
343	Freddie R Salsbury	2	596	9	1
344	Riccardo Baron	1	592	12	2
344	Daniel Trzesniak	1	592	3	1
346	Christina Ertural	2	591	1	1
346	Ryky Nelson	2	591	1	1
348	Andreas Klamt	4	590	8	9
349	Paul l A Popelier	22	589	1	3
350	Carsten Kutzner	3	588	1	2
351	Alberto Del Rio	2	585	6	1
352	Yuko Okamoto	8	580	9	4
353	Paul G Mezey	19	577	2	3
354	Gianluca Degliesposti	1	569	7	2
354	Giulio Rastelli	1	569	22	4
356	Josep M Bofill	20	568	1	2
357	Francesc Illas Riera	15	562	10	17
358	Santiago Alvarez	4	553	15	6
359	Richard W Pastor	3	551	6	8
360	Kuo-Chen Chou	4	550	19	21
361	Justin A Lemkul	7	541	1	2
361	Wesley D Allen	5	541	5	6
363	Hui Sun Lee	3	539	2	1
364	Jiřı́ Šponer	2	537	29	12
364	Garrett B Goh	1	537	4	1
364	Abhinav Vishnu	1	537	3	1
367	Seonghoon Kim	2	535	3	1
368	Ester Papa	2	532	11	2
369	Olgun Guvench	3	531	2	2
370	Janine George	1	523	10	1
370	Geoffroy Hautier	1	523	23	10
372	Sebastian Kozuch	2	521	13	5
373	Guangjiu Zhao	4	520	4	5
374	Eliseo Ruiz	2	518	22	7
375	Stanislaw Oldziej	4	516	3	2
376	Gabriel Merino	8	511	5	6
378	Jeremy C Smith	14	510	6	11
378	Bernd M Rode	14	510	7	4
380	John B O Mitchell	5	509	6	4
381	Stephen C Harvey	6	502	8	3
382	Vladimir G Malkin	4	501	5	4
382	Olga L Malkina	4	501	5	5
384	Gernot Frenking	4	499	13	13
385	Nicholas M Glykos	4	496	2	1
386	Roberto Dias Lins Neto	4	494	3	1
387	Christopher M Bruns	1	486	2	2
388	Alexander I Boldyrev	7	484	12	12
389	John W Brady	1	483	14	3
389	Mario Blanco	2	483	4	3
389	Pedro A Fernandes	7	483	6	3
392	Marcel Swart	6	481	7	5
392	Szilárd Páll	2	481	1	5
392	Xiaoqin Zou	8	481	2	2
395	Donald Bashford	3	479	5	8
396	Humbert González-Díaz	8	478	8	5
397	Dimitris K Agrafiotis	11	476	3	3
398	Antonio Rodríguez-Fortea	1	472	23	4
398	Thomas S Hofer	13	472	4	1
398	Joan Cano	1	472	16	8
402	Michael F Crowley	2	467	14	4
402	Kevin J Naidoo	10	467	2	2
404	William Hase	3	466	16	8
405	Michael B Hall	5	463	14	7
406	Jordi Poater	8	462	5	6
406	William Goddard	7	462	22	31
408	Ferran Feixas	4	457	3	1
409	George A Kaminski	9	456	1	3
409	Lukasz A Kurgan	4	456	9	6
411	Eduard Matito	4	453	8	5
412	John T Mongan	1	450	7	3
413	David M Ferguson	9	448	2	4
413	Tamar Schlick	10	448	6	9
415	Evelio E Francisco Miguélez	7	442	6	8
416	Amir Karton	10	441	4	5
417	Yuji Sugita	12	439	4	7
418	Joachim Laun	4	438	1	1
419	Milan Randić	16	435	5	6
420	Cherumuttathu H Suresh	16	430	2	7
421	Ruhong Zhou	3	429	20	11
422	Rafael Lopez Fernandez	16	427	1	1
423	Victor Guallar	3	426	14	3
423	Jorge Barroso	4	426	6	6
423	Patrick Bultinck	14	426	4	5
426	Christoph van Wüllen	8	425	2	4
427	Bernard Silvi	8	423	2	4
428	Michelle M Kuttel	5	421	2	1
429	Ulrich H E Hansmann	3	414	12	5
430	Zhongmin Su	12	413	28	26
430	Willem Klopper	7	413	9	10
432	Satoshi Maeda	9	412	6	8
432	Wei Wu	10	412	5	6
434	Jerzy Leszczynski	11	410	12	15
434	Petr Bouř	9	410	6	5
436	Andrzej Kolinski	6	409	8	7
437	Peter Schwerdtfeger	9	408	12	12
438	Chérif F Matta	11	405	2	3
439	Christopher G Mayne	1	403	3	1
440	Martin Zacharias	13	400	3	5
440	Guo-Wei Wei	10	400	3	4
442	Rebecca Sure	3	398	2	1
443	Bernd Hartke	8	397	3	4
444	Piero Procacci	5	396	6	3
445	Dariusz Plewczynski	2	390	22	6
446	Sarah L Price	4	386	12	13
446	Massimo Marchi	4	386	5	4
448	Oleg V Tsodikov	1	382	12	1
448	Pedro Salvador Sedano	8	382	2	2
448	M Thomas Record	1	382	11	6
451	Shridhar R Gadre	10	381	5	5
451	Kunal Roy	2	381	37	9
451	Indrani Mitra	2	381	2	4
454	Wolfgang Quapp	11	380	3	2
454	Yang Zhang	1	380	21	13
454	Paul M Zimmerman	4	380	7	4
457	Hui Li	4	379	2	2
458	U Deva Priyakumar	4	374	5	1
459	Stefano Corni	4	373	11	5
461	Siewert-Jan Marrink	3	368	16	20
462	Thomas Simonson	16	367	1	3
463	Supratik Kar	1	366	19	3
463	Rudra Narayan Das	1	366	7	3
463	Probir Kumar Ojha	1	366	12	3
467	András Perczel	11	361	1	2
468	Robert Ponec	9	359	2	3
469	Xin Xu	18	357	2	8
470	Camilo Aponte-Santamaría	1	355	6	1
471	Alberto Vela	4	354	8	4
471	Sheng-You Huang	3	354	5	7
473	Manuel F Ruiz-López	10	349	7	5
474	Malcolm E Davis	4	348	1	4
474	Ren-Xiao Wang	2	348	8	7
474	Renxiao Wang	2	348	6	9
477	Jorge Vila	6	347	3	2
479	Matthew Jacobson	2	346	22	16
479	Mariusz Kłobukowski	6	346	1	1
481	Michel Dupuis	5	344	3	6
482	Michael Bühl	3	342	13	5
483	Celestino Angeli	7	341	5	6
484	Michel Rérat	4	340	11	6
485	Kwang S Kim	8	337	19	38
485	Vladimir G Tsirelson	5	337	5	2
485	Rohit V Pappu	2	337	15	16
488	Jonathan W Essex	8	334	4	5
488	Bernd Engels	15	334	6	7
490	James A Platts	3	333	21	9
490	Henryk A Witek	4	333	4	3
492	Jooyoung Lee	2	331	4	1
493	Thomas Heine	2	330	39	24
493	Irina Moreira	2	330	9	2
496	Janet M Thornton	3	328	22	24
497	W Gero Schmidt	13	326	3	4
498	Eugenio Eu Uriarte	6	325	11	9
498	Michele Parrinello	3	325	18	25
501	Bela Paizs	4	324	6	5
503	Massimiliano Bonomi	2	322	7	8
504	Jonathan D Hirst	7	320	6	6
505	Jooyoung Lee	2	319	3	2
506	Trygve Helgaker	6	318	11	11
507	Clara D Christ	2	317	2	1
507	Guillermo Ramirez	9	317	2	1
509	Thanh N Truong	4	316	4	3
510	Andrew R Leach	5	315	3	8
510	Richard Lavery	9	315	5	8
512	David Poger	2	313	4	2
513	Steven L Dixon	5	310	1	6
514	Carlo Gatti	5	309	7	10
514	Arturo Robertazzi	2	309	3	1
516	Rafal Augustyniak	1	308	3	1
517	Haruki Nakamura	10	307	2	10
517	Robert A Evarestov	16	307	3	3
517	Andreas Vitalis	1	307	7	3
520	Barry T Pickup	1	306	10	1
521	Thomas Frauenheim	4	305	26	19
522	Mark P Waller	5	303	1	4
523	Ilaria Ciofini	18	302	1	11
524	Jaewoon Jung	6	301	1	1
524	Benedetta Mennucci	6	301	12	17
524	J Andrés	7	301	14	18
527	Shuanghong Huo	3	300	4	2
528	Chigusa Kobayashi	4	298	3	1
528	Claude Pouchan	7	298	4	2
530	Alessandro Barducci	1	297	9	5
531	B J Berne	1	296	12	11
532	Carles Curutchet	6	295	4	4
533	Zaida Luthey-Schulten	2	293	10	7
534	Philippe Derreumaux	4	292	7	9
534	Samuel Genheden	4	292	4	3
534	Josep Anglada	7	292	5	5
537	Johan Åqvist	3	291	13	15
538	Tuo Zhang	2	290	6	6
538	Ricardo A Mosquera	9	290	4	3
540	Per E M Siegbahn	10	289	7	13
541	Peter Comba	5	288	8	7
541	Angela K Wilson	7	288	5	9
543	Adam Liwo	14	287	4	8
543	Rochus Schmid	5	287	5	5
545	Attila G Császár	10	285	6	13
546	Julien Pilmé	9	284	1	1
546	Paul Ayers	12	284	9	14
548	Xueguang Shao	7	283	11	5
548	Hsien-Da Huang	7	283	4	13
550	Lars V Schäfer	3	281	9	6
550	George C Shields	4	281	5	5
552	Tzong-Yi Lee	5	280	5	5
552	James M Briggs	2	280	8	7
555	Hu-Jun Qian	3	279	6	4
555	Edward F Valeev	2	279	7	9
557	Masato Kobayashi	7	278	2	2
557	Brian N Dominy	5	278	1	2
557	Christoph R Jacob	4	278	4	4
560	Per-Ola Norrby	4	277	8	7
560	Tiejun Cheng	1	277	7	5
560	Xun Li	1	277	5	3
560	Andreas W Götz	8	277	3	4
564	Pedro J Ballester	1	275	14	5
565	Wen Lai Huang	3	274	4	1
566	Andriy Kovalenko	2	273	13	6
566	Arnim Hellweg	4	273	1	4
569	David R Bevan	1	272	21	5
569	Michael Schindler	3	272	3	5
571	Israel Fernandez	6	271	13	9
571	Yajun Zheng	3	271	5	3
573	D Peter Tieleman	4	270	12	20
574	Gerhard Hummer	2	268	23	24
574	Tetsuya Taketsugu	13	268	6	9
574	Peter Politzer	5	268	14	25
577	Huai Sun	5	267	3	4
577	Michael Holst	1	267	7	1
577	Kyu Il Lee	2	267	2	1
580	Shawn T Brown	2	266	12	6
580	David E Hibbs	2	266	10	2
582	Alexander P Lyubartsev	5	265	6	10
583	Zhong-Yuan Lu	3	262	12	9
583	Carlos Aleman	13	262	12	14
585	Jaroslav V Burda	9	261	3	4
585	Norio Yoshida	6	261	5	3
585	Pratim Kumar Chattaraj	12	261	5	9
585	Miquel Duran	7	261	4	7
589	Michael Dolg	5	260	16	15
590	Mikhail V Vener	1	259	19	5
590	C Richard A Catlow	2	259	59	41
590	Lee G Pedersen	9	259	3	11
590	Andrei V Churakov	1	259	49	8
594	Rollin A King	1	258	3	5
594	T Daniel Crawford	1	258	18	8
594	Jun-ya Hasegawa	8	258	2	4
597	Uwe Huniar	1	257	3	2
598	Bhyravabhotla Jayaram	6	255	2	8
598	You-Liang Zhu	3	255	8	2
600	Yingkai Zhang	3	254	9	7
600	Takaharu Mori	5	254	1	3
600	Sriram Krishnan	1	254	2	1
600	Wilfred W Li	1	254	3	1
604	Kaori Fukuzawa	4	253	7	4
604	Qiang Cui	5	253	8	11
604	David A Kofke	3	253	10	6
604	Mauro Ferrero	1	253	2	2
608	Jeffrey Skolnick	6	252	4	9
608	Jerzy Cioslowski	5	252	4	3
608	Hong Liu	2	252	8	2
611	Michael Hirsch	3	251	2	1
613	Charles H Reynolds	1	250	11	7
613	Roberto Improta	5	250	12	13
613	Francesco Rao	3	250	2	4
617	Maurizio Persico	6	248	8	11
617	Christel M Marian	4	248	10	9
617	Sang-Jun Park	2	248	3	2
620	H Georg Schreckenbach	3	247	12	12
620	Hiroshi Nakatsuji	7	247	4	7
622	Gerald R Kneller	4	246	3	3
622	Silvia Casassa	2	246	8	5
624	Andrei V Bandura	11	245	1	6
624	Alexandru T Balaban	9	245	5	7
626	Christopher A Reynolds	8	244	3	5
627	Janet E Del Bene	11	243	4	8
628	Yu-Dong Cai	5	242	17	17
628	Pál Jedlovszky	2	242	10	5
628	Gyorgy Hantal	2	242	4	2
631	Robert J Deeth	6	241	5	10
632	Emilia Sicilia	9	240	2	4
632	Shu-Hua Li	5	240	13	11
632	Chan Kyung Kim	15	240	2	4
632	Jonathan M Goodman	1	240	25	11
636	Cezary Czaplewski	5	238	5	5
636	Xavier Assfeld	8	238	4	4
638	Elisa Molinari	1	237	29	10
638	Yoong-Kee Choe	3	237	3	3
640	Gábor I Csonka	9	236	3	8
640	Yuto Komeiji	4	236	3	3
642	Agusti Lledos	9	235	11	11
643	Junichi Higo	8	234	1	3
643	Pemra Doruker	2	234	8	6
643	Prasad Bharatam	9	234	4	5
643	Veronique Van Speybroeck	3	234	29	31
643	Hisashi Okumura	9	234	3	2
648	David A Pearlman	5	233	2	7
648	Robert J Harrison	5	233	3	7
650	Ran Friedman	1	232	17	2
650	Angelo Nicola Felline	1	232	4	1
650	Soohyung Park	2	232	5	2
650	Christof Hattig	6	232	7	14
650	Francesco Raimondi	1	232	10	3
650	Francesca Fanelli	1	232	34	7
650	Stefanie Muff	1	232	5	4
650	Ian Gould	5	232	2	3
650	Michele Seeber	1	232	4	2
650	Angelo Felline	1	232	5	1
660	dimas Suarez	8	231	3	4
661	Petr Malon	2	230	5	2
661	Wen-Chi Chang	3	230	3	4
661	Justin Bo-Kai Hsu	3	230	1	2
664	Xiao-Ying Zhang	15	229	3	18
665	Antonio M Márquez	4	228	5	3
665	Natalie Fey	4	228	6	5
667	Lyudmila V Slipchenko	4	227	4	9
667	Jordi Mestres	6	227	1	6
667	Miroslav Kohout	6	227	3	5
670	Munir Skaf	2	226	9	5
670	Jan Wenzel	2	226	2	3
670	Kuldip Paliwal	3	226	3	5
673	Mark J Abraham	2	225	1	4
673	Mietek Jaroniec	1	225	82	48
675	Jing-Ping Zhang	14	224	3	12
675	Coen de Graaf	6	224	9	12
675	Ivet Bahar	1	224	31	19
675	Klaus R. Liedl	7	224	12	11
675	Timothy A Keiderling	1	224	23	9
675	Steve Scheiner	9	224	11	15
675	Robert L Jernigan	1	224	35	12
675	Lucie Bednárová	1	224	15	1
675	Andrew H Beaven	1	224	3	1
684	Renzo Cimiraglia	3	223	8	5
685	Sonja Herres-Pawlis	8	222	4	5
685	G Narahari Sastry	8	222	5	10
687	Hermann Stoll	1	221	11	11
687	Yoshifumi Nishimura	6	221	6	8
687	Mitsunori Ikeguchi	4	221	5	3
690	Rhys Heffernan	2	217	1	4
690	James Lyons	2	217	5	3
692	Denis Usvyat	1	216	9	5
692	Martin Schütz	1	216	16	10
692	Alfred D French	4	216	4	5
695	Ke Chen	2	214	2	2
695	Igor Ying Zhang	7	214	1	4
695	Manuel Yanez	7	214	18	14
698	Aurora Clark	3	212	12	6
698	Edward J Maginn	3	212	15	18
698	Fernanda Borges	4	212	16	15
701	Miguel Ángel Méndez Rojas	1	211	22	2
701	Carmen Herrmann	11	211	1	4
703	Takao Tsuneda	9	210	2	2
704	Eshel Faraggi	1	209	4	2
704	Zhong-Fang Chen	4	209	18	29
704	Pierre Tuffery	3	209	5	5
708	Lin Li	6	208	1	3
708	Toon Verstraelen	3	208	6	6
710	Marcus Elstner	4	207	6	9
711	Andreas Savin	3	206	12	10
711	Massimiliano Bartolomei	6	206	5	4
711	Takeshi Ishikawa	4	206	2	2
711	Minh Tho Nguyen	10	206	14	16
715	Sofie Van Damme	6	205	1	2
716	Andrey Toropov	5	204	15	11
716	Gromiha Michael	4	204	16	9
716	Ernst-Walter Knapp	7	204	8	12
716	Emilio Benfenati	5	204	28	18
716	Alla P Toropova	5	204	14	7
721	Bruce R Donald	3	203	4	7
721	Zhong-Zhi Yang	8	203	3	3
723	Bobby G Sumpter	6	202	27	32
723	Jijun Zhao	5	202	35	41
725	Zhan-Wei Li	1	201	8	1
725	Andreas M Köster	3	201	7	2
725	Andrew Ferguson	2	201	12	7
725	David Casanova	6	201	8	13
725	Cheng Wang	1	201	3	1
730	Roman A Laskowski	2	200	13	18
731	Daniel Seeliger	1	199	3	2
731	Vytautas Gapsys	1	199	10	3
731	Mikko Karttunen	1	199	63	29
731	Jane S Murray	4	199	10	19
731	Servaas Michielssens	1	199	4	1
736	Elfi Kraka	5	198	13	16
737	Jan Řezáč	4	197	6	8
737	Krzysztof Woliński	4	197	2	2
737	Masahiro Ehara	10	197	6	8
737	Yinglong Miao	4	197	6	7
737	Mahmoud A A Ibrahim	1	197	20	2
742	Robin Taylor	1	195	11	12
742	Qian-Zhong Li	2	195	6	3
742	Paulo Ct Souza	2	195	6	6
745	Kazuya Ishimura	5	194	1	1
746	Tatsuya Nakano	3	193	2	2
746	Ying Xue	12	193	1	4
748	Yifan Song	1	192	2	1
748	M R Gunner	1	192	11	5
750	Louis Vanduyfhuys	2	191	4	2
751	Josep M Luis	5	190	8	8
751	Milan Hodošček	1	190	3	1
753	Neetha Mohan	4	189	1	2
753	Jean Christophe Tremblay	4	189	6	2
753	David E Shaw	1	189	22	22
753	Yasuteru Shigeta	12	189	5	8
753	Jiří Kolafa	1	189	13	5
753	Dieter Cremer	4	189	10	12
753	Noam Agmon	1	189	19	11
760	Trond Saue	2	188	7	9
761	Fangqiang Zhu	1	187	7	3
762	James P Finley	1	186	4	2
762	Marcos Raydan	2	186	8	5
764	Lourdes Santana	3	185	18	9
764	Reinhold F Fink	7	185	4	8
766	Yu Harabuchi	4	184	3	2
766	Wolfram Koch	7	184	8	8
766	Jaroslav Koca	6	184	7	9
766	Bryan M Wong	6	184	6	14
766	Wojciech Plazinski	4	184	5	4
766	José Diogo L Dutra	1	184	13	1
772	Louis Lagardère	3	183	5	3
772	Kendall Houk	4	183	20	23
772	Roger A Klein	2	183	6	4
775	Thiago C F Gomes	1	181	1	2
775	Lívia B Pártay	1	181	8	2
775	Munir S Skaf	1	181	12	6
775	Árpád Vincze	1	181	2	1
779	Gunter Hermann	3	180	1	1
779	David P Tew	2	180	11	8
779	Vincent Pohl	3	180	1	1
779	Rainer Koch	1	180	20	2
783	Philippe Carbonniere	1	179	4	1
784	Martin Quack	2	178	20	18
784	Thereza A Soares	2	178	5	5
784	Maykel Cruz-Monteagudo	3	178	1	2
784	Sebastian Höfener	7	178	3	4
788	Yuji Mochizuki	5	177	6	6
788	Yosuke Sumiya	2	177	2	1
790	Otilia Mo Romero	5	176	18	14
791	Vincent Tognetti	3	175	7	4
791	Pieter F W Stouten	1	175	11	4
793	Shant Shahbazian	2	174	8	4
793	Tomasz Rog	1	174	29	14
793	Marcos Mandado Alonso	5	174	4	4
796	Yong Wu	5	172	5	5
796	Joseph D Yesselman	2	172	3	1
798	Di Wu	5	171	10	11
798	Toyokazu Ishida	3	171	2	4
798	David Danovich	4	171	7	11
798	Yuriko Ono	2	171	5	2
802	Julien Maupetit	1	170	4	5
802	Leo Radom	7	170	10	18
802	Antonio Lagana	5	170	7	6
802	Yu Takano	9	170	3	6
806	Kenichiro Saita	2	169	3	1
806	Markus Meuwly	4	169	8	8
808	Seung Kyu Min	2	168	6	7
808	Ivari Kaljurand	1	168	8	6
808	Agnes Kütt	1	168	5	5
808	Ivo Leito	1	168	34	15
808	Jean-Didier Maréchal	6	168	1	3
813	Raymond J Abraham	4	167	7	3
813	Kimichi Suzuki	2	167	2	1
813	José M Lluch	13	167	8	9
813	Mark Pinsky	4	167	3	3
817	Xiang-Yuan Li	12	166	2	4
817	Marcia O Fenley	4	166	2	3
817	Benoît Ît Champagne	6	166	14	16
817	Stephan Reiling	2	166	1	2
821	Robert K Szilagyi	5	165	5	8
821	M Michael Gromiha	3	165	9	8
823	Juan I Rodríguez	3	164	2	2
823	Jean-Luc Fattebert	1	164	5	4
823	François Gygi	1	164	11	10
823	Pawel M Kozlowski	2	164	12	8
827	Maria Kontoyianni	3	163	1	2
827	Paul Fleurat-Lessard	4	163	6	4
829	Karsten Krogh-Jespersen	5	162	2	2
829	Marcus Lundberg	4	162	3	5
829	Ulrike Salzner	3	162	6	9
829	Tomoo Miyahara	3	162	2	1
829	Kelin Xia	5	162	3	3
834	Eamonn F Healy	3	161	5	4
834	David W Ritchie	1	161	6	6
834	Peter L Cummins	5	161	1	1
837	Hsin-Tsung Chen	4	160	9	4
837	Thomas E Exner	2	160	6	6
837	Fausto Cargnoni	1	160	11	3
837	Luca Bertini	1	160	15	5
841	Wolfgang Wenzel	8	159	8	15
841	Roberto A Boto	2	159	1	2
843	Ryoichi Fukuda	9	158	2	3
843	Zdzisław Xl;law Latajka	5	158	5	6
845	Hao Lin	1	157	37	22
845	Rong-Zhen Liao	3	157	9	7
845	Bojan Zagrovic	1	157	12	9
848	Wenjian Liu	7	156	3	8
848	Stephan Irle	6	156	13	20
850	Piero Ugliengo	2	155	25	20
850	Wei Chen	1	155	2	2
850	Peter Schreiner	5	155	16	26
850	Haruyuki Nakano	5	155	4	6
850	Ilia A Solov'yov	5	155	6	6
855	Leo Lue	2	154	10	6
855	David J Willock	1	154	46	31
855	Haruo Hosoya	5	154	5	5
858	Neeraj Sharma	1	153	1	1
858	Wenlan Liu	4	153	1	3
860	Daiqian Xie	10	152	5	9
860	Jianhan Chen	8	152	1	9
860	Mihaly Mezei	5	152	6	6
863	Oleg Borodin	3	151	21	35
863	William A Goddard	4	151	30	57
865	Bart M H Bruininks	1	150	1	2
865	Francesc Viñes	4	150	9	19
865	Joanna Trylska	4	150	6	4
865	Efthimios Kaxiras	1	150	38	26
865	Pin-Chia Hsu	1	150	3	1
865	Àngels González-Lafont	11	150	4	6
871	Benedict Leimkuhler	1	149	6	2
871	Juan Jesús Pérez	5	149	8	4
871	Andrzej Rzepiela	1	149	3	4
871	Andrea Lombardi	3	149	8	5
871	Fernando Pirani	4	149	16	14
871	Christoph Loschen	2	149	1	2
871	Nicolae Goga	1	149	1	1
878	Chung F Wong	6	148	2	3
878	Angelika Baranowska-Łączkowska	6	148	1	1
878	Dmitry Zuev	2	148	2	3
881	Rafael Islas	3	147	2	7
881	Leonid Gorb	7	147	5	10
881	Palii Andrew	4	147	10	7
881	Andrea Cavalli	5	147	10	29
881	Sergio F Sousa	4	147	5	4
881	Shigenori Tanaka	4	147	7	7
881	Andreas Windemuth	1	147	9	9
881	Andrey V Solov'yov	4	147	7	8
889	Shoji Takada	2	146	14	10
889	Yi-Gui Wang	4	146	2	1
889	Hai-Bo Yu	4	146	2	10
889	Jose Elguero	3	146	57	47
889	Miquel Torrent-Sucarrat	3	146	5	7
894	Mirosław Jabłoński	8	145	2	2
894	Martin Kleinschmidt	1	145	6	2
896	Xavier Rozanska	2	144	4	6
896	Chang-Guo Zhan	5	144	14	17
896	Kathleen A Durkin	3	144	4	6
896	Dongwook Kim	1	144	17	7
896	Jian Wan	6	144	2	3
901	Ani Anciaux-Sedrakian	1	143	2	1
901	Gustavo E Scuseria	3	143	14	20
903	Pär Söderhjelm	5	142	4	6
903	Farnaz Heidar-Zadeh	3	142	3	2
905	Ryuhei Harada	8	141	2	1
905	Yu-Yen Ou	3	141	6	5
905	Klaus Ruedenberg	3	141	7	8
908	Gisbert Schneider	9	140	10	34
908	Narutoshi Kamiya	5	140	3	5
908	Carlos Jaime	2	140	11	3
908	Emili Besalu	5	140	2	3
913	Lorenzo Rovigatti	2	139	9	7
913	Waclaw Andrzej Sokalski	8	139	5	7
913	Weihua Zhu	3	139	15	8
913	Young Min Rhee	2	139	14	12
913	Flavio Romano	2	139	6	7
913	Jan Antosiewicz	1	139	16	7
913	Petr Sulc	2	139	3	6
913	Adrian H Elcock	1	139	16	12
921	Hongjun Xiang	1	138	26	15
921	Myung-Hwan Whangbo	1	138	38	20
921	Marco De La Pierre	3	138	4	4
921	Lin Ming-chang	2	138	16	12
925	Koichi Tamura	2	137	1	1
925	Guillermin Agüero-Chapin	2	137	3	1
925	Maria Natália Dias Soeiro Cordeiro	4	137	18	14
928	David Perahia	6	136	4	9
928	Max L Berkowitz	1	136	14	13
928	Gilles Ohanessian	2	136	12	6
928	Alexey Savelyev	1	136	5	4
928	Axel Gross	1	136	37	24
933	Arghya Chakavorty	5	135	1	1
934	Assoc Prof Bo Durbeej	4	134	3	4
934	Michio Katouda	6	134	1	2
934	Ryan P Steele	1	134	7	5
934	Robert A Distasio Jr	1	134	14	15
934	Roy L. Johnston	4	134	11	22
934	Stephane Redon	11	134	1	2
940	Abdul Sattar	1	133	18	6
940	Abdollah Dehzangi	1	133	11	6
940	Abdul Sattar	1	133	16	6
940	Friedhelm Bechstedt	2	133	28	21
940	Alexander V Nemukhin	4	133	15	8
940	Alok Sharma	1	133	22	12
940	Van V Vu	4	133	5	8
940	Son Tung Ngo	4	133	6	5
940	Yasuhiro Matsunaga	1	133	7	2
949	Martin Rahm	2	132	9	5
949	Yun Geng	2	132	14	7
949	Lingpeng Meng	8	132	2	2
949	Sereina Riniker	3	132	10	9
949	Masahiko Hada	11	132	3	7
949	Genyuan Li	4	132	3	4
955	Anne Imberty	2	131	31	36
955	Tomoshi Kameda	1	131	15	3
955	Tsuyoshi Terakawa	1	131	6	6
955	Mark A Murcko	5	131	3	12
955	Saulo A Vazquez	6	131	6	5
955	Chin-Kun Hu	6	131	10	12
955	Gregory K Pierens	1	131	8	3
955	J Ulises Reveles	1	131	4	3
955	Govinda Kc	1	131	1	1
955	Millard H Lambert	3	131	5	13
965	Ahmet Altun	2	130	9	7
965	Alejandro Gaita-Arińo	3	130	6	11
965	José J Baldoví	3	130	5	5
965	Wataru Shinoda	3	130	11	13
965	Juan Cortes	3	130	3	4
965	Hiroki Kaneko	2	130	2	2
965	Prabal K. Maiti	2	130	18	15
965	Werner Reckien	1	130	6	2
965	Hai-Bin Li	1	130	10	6
974	Richard H Henchman	4	129	4	8
974	Hong-Liang Xu	4	129	6	8
974	Shandar Ahmad	2	129	11	5
974	Beate Paulus	5	129	1	2
978	Maurizio Sironi	3	128	4	4
978	Xavier Barril	4	128	3	11
978	Miquel Garcia-Ratés	3	128	1	1
978	Kazuo Kuwata	1	128	13	6
978	Daniel Sindhikara	1	128	4	3
978	Kenneth Ruud	5	128	11	20
978	Yovani Marrero-Ponce	6	128	6	8
978	Jong-Won Song	9	128	2	2
978	Minoru Sakurai	7	128	2	5
978	Constantinos C Pantelides	1	128	8	7
988	Efthymios I Ioannidis	1	127	2	2
988	René de Gelder	2	127	24	13
988	Nisanth N Nair	10	127	1	5
988	Heather J Kulik	1	127	20	16
988	Duan Chen	1	127	4	2
988	Weihua Geng	1	127	6	4
988	Luis F Pacios	8	127	2	6
988	Franck Jolibois	1	127	8	2
988	Jos A Hageman	2	127	3	1
988	Ron Wehrens	2	127	9	8
988	Terry Z H Gani	1	127	3	2
988	Nino Russo	1	127	17	11
1000	Russell J Boyd	7	126	9	13

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