Journal of Computational Chemistry

2.8(top 20%)

impact factor

7.6K(top 2%)

papers

702.4K(top 1%)

citations

256(top 1%)

h-index

2.9(top 20%)

impact factor

10.0K

all documents

744.2K

doc citations

749(top 0.1%)

g-index

Top Authors (by citations)

#	Author	Articles	Citations	R ARank	R CRank
1	Arthur J Olson	5	49,179	2	1
2	Stefan Grimme	9	45,159	10	2
3	Sebastian Ehlert	7	40,670	10	2
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	David Goodsell	4	27,635	12	1
9	Garrett M Morris	3	27,601	6	1
10	Richard K Belew	3	25,781	2	1
11	Alexander D Mackerell	35	24,510	3	1
12	Tian Lu	5	23,400	4	1
13	Junmei Wang	7	22,999	4	1
14	Feiwu Chen	2	21,831	1	1
15	Tian Lu	1	21,818	2	1
16	Mark S Gordon	10	19,495	5	1
17	Jan H Jensen	7	19,420	6	1
18	Mark Gordon	5	19,388	5	1
19	Kim Baldridge	3	19,053	20	1
20	Shiro Koseki	2	19,036	7	1
21	Theresa L Windus	3	19,024	5	1
22	John A Montgomery Jr	1	19,020	8	1
22	Jerry A Boatz	1	19,020	7	1
22	Kiet A Nguyen	1	19,020	6	1
22	Stephen T Elbert	1	19,020	8	1
26	Alan E Mark	10	18,236	7	1
27	Michel F Sanner	3	16,878	3	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	13	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	9	8,276	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	Christian Bartels	5	7,564	1	1
70	Stefan Boresch	9	7,481	2	1
71	Henry Lee Woodcock	5	7,357	4	1
72	Wilfred F Van Gunsteren	31	7,355	1	1
73	Amedeo Caflisch	6	7,344	8	1
74	Darrin M York	9	7,308	5	2
75	Emanuele Paci	4	7,191	7	1
76	Tim Clark	15	7,174	6	1
77	Bruce Tidor	2	7,157	12	1
78	Jingzhi Pu	1	7,077	10	1
79	H Bernhard Schlegel	9	7,051	5	2
80	Nadia Rega	8	7,047	3	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	13	5,592	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	7	1
97	Chun Wu	2	4,187	13	1
98	Frank Weinhold	18	4,095	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	21	3,331	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	5	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	Donald G Truhlar	13	2,632	17	12
124	Philippe Ayala	1	2,592	2	1
125	Jumin Lee	7	2,572	1	2
126	Vitaly A Rassolov	3	2,564	5	4
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	Wolfgang Damm	4	1,858	2	2
144	Jeffery B Klauda	3	1,856	7	4
145	Karl N Kirschner	3	1,851	3	1
146	Ronald M Levy	11	1,836	2	1
147	Viviana Monje-Galvan	2	1,814	3	1
148	Xi Cheng	1	1,802	6	1
150	Pavel Hobza	14	1,786	12	10
151	B Lachele Foley	1	1,778	2	1
151	Jorge Gonzalez-Outeirino	1	1,778	2	1
153	Feliu Maseras	6	1,748	12	2
154	Hans Lischka	10	1,741	8	3
155	A-R Allouche	2	1,730	17	1
156	Thomas Bredow	17	1,729	1	1
157	Anthony Nicholls	4	1,714	2	4
158	Sergey Vyazovkin	2	1,685	20	3
159	Eric D Glendening	6	1,629	2	1
160	Piotr Cieplak	5	1,625	2	4
161	Alessandro Soncini	3	1,603	7	1
162	Clark Landis	5	1,595	4	2
163	Russell Anderson	1	1,583	5	1
163	Nicholas F Chilton	1	1,583	15	1
163	Lincoln D Turner	1	1,583	6	1
163	Keith S Murray	1	1,583	20	1
167	Maxim Totrov	4	1,566	3	1
168	Michal Vieth	4	1,565	2	1
169	Michal Pitoňák	2	1,549	6	1
170	Ruben Abagyan	2	1,513	14	1
171	Pere Alemany	7	1,507	6	3
172	Roberto Cammi	10	1,500	4	5
173	Michel A Cuendet	1	1,485	7	1
173	Giovanni Ghigo	1	1,485	12	1
175	Massimo Olivucci	4	1,478	12	3
176	Michael Gilson	6	1,465	4	3
177	Mickaël G Delcey	4	1,458	4	1
178	Felix Plasser	5	1,453	6	3
179	F Javier Luque	26	1,436	2	3
180	Jochen Autschbach	2	1,416	26	4
181	Sebastian Mai	2	1,412	9	2
182	Ignacio Fdez Galván	6	1,404	4	1
183	Claudio M Zicovich-Wilson	5	1,395	9	1
184	Santiago Alvarez	5	1,389	10	6
185	Kim A Sharp	6	1,387	6	3
186	Peter Pulay	25	1,379	2	4
187	Marco Garavelli	4	1,375	14	2
188	Henry Chermette	6	1,370	10	1
189	Luis Manuel Frutos Gaite	2	1,357	10	1
190	Eliseo Ruiz	3	1,354	15	4
191	Steven Vancoillie	2	1,352	3	1
192	Ivan Rivalta	2	1,350	12	1
193	Artur Nenov	3	1,345	10	1
194	Fabien Pascale	6	1,344	1	1
195	Barry Honig	2	1,341	14	2
196	Miquel Solà	25	1,325	5	5
197	Igor Schapiro	2	1,324	13	1
198	Liviu Ungur	1	1,317	16	5
198	Laura Gagliardi	1	1,317	35	6
198	Oliver Weingart	1	1,317	16	1
198	Daoling Peng	1	1,317	3	1
198	Alessio Valentini	1	1,317	3	1
198	Rebecca K Carlson	1	1,317	6	1
198	Javier Segarra-Martí	1	1,317	10	1
198	Giovanni Li Manni	1	1,317	7	2
198	Angelo Giussani	1	1,317	7	1
198	Liviu F Chibotaru	1	1,317	26	6
198	Chad E Hoyer	1	1,317	4	1
198	Thomas Müller	1	1,317	9	1
198	Richard F W Bader	1	1,317	12	4
198	Felipe Zapata	1	1,317	2	1
212	Joan Cano	2	1,308	11	3
213	Daniel H Robertson	1	1,299	6	2
214	Brian K Shoichet	2	1,293	16	8
215	Justin S Bois	1	1,289	2	1
216	Julian Tirado-Rives	6	1,277	5	4
217	Frank Neese	12	1,276	10	14
218	Florian Müller-Plathe	6	1,274	5	2
219	Modesto Orozco López	22	1,242	3	7
220	Xavier Daura	5	1,223	2	2
221	Michael Florian Peintinger	4	1,218	1	1
222	J Andrew Mccammon	16	1,195	8	12
223	Ramy Farid	1	1,194	4	3
224	Walter Thiel	27	1,184	8	11
225	Werner Braun	4	1,183	7	2
226	Harold A Scheraga	28	1,165	4	5
227	Arieh Warshel	4	1,123	7	8
228	Arup K Ghose	3	1,107	2	2
229	Iñaki Tuñón	6	1,085	7	2
230	Dmitri G Fedorov	12	1,071	4	3
231	Dirk Reith	1	1,067	13	1
232	Peter M W Gill	8	1,062	7	5
233	Sandeep Patel	10	1,059	2	1
234	Wendy D Cornell	4	1,049	1	2
235	Pengyu Ren	9	1,036	3	4
236	Ramon Carbó-Dorca i Carré	22	1,026	2	3
237	Robert Fraczkiewicz	2	1,024	2	1
238	C David Sherrill	5	1,021	7	8
239	Peter J Steinbach	1	1,002	8	2
240	YIhan Shao	6	991	5	4
241	Michelle M Francl	1	984	9	3
242	Frank Eisenhaber	2	977	19	5
243	Nohad Gresh	26	967	1	1
244	Shalom Rackovsky	4	961	3	1
245	Arnie Hagler	5	954	2	3
246	Eugenio Coronado	6	925	24	9
246	Juan M Clemente-Juan	6	925	9	3
248	Paola Gramatica	7	920	2	5
249	Anna I Krylov	7	877	8	8
250	Emil Alexov	10	872	3	2
251	Helmut Grubmüller	8	871	3	6
252	Martin Head-Gordon	4	862	17	14
253	Ulf Ryde	12	859	6	6
254	Lorenzo Maschio	12	856	6	4
255	Bartolomeo Civalleri	5	854	7	7
256	Ricardo O Freire	3	836	11	1
257	Lukas D Schuler	2	827	1	1
258	Bert L De Groot	5	823	6	8
259	Ke-Li Han	10	817	13	12
259	Johannes Neugebauer	7	817	4	2
261	Lucas Visscher	13	810	4	3
262	Nathan A Baker	6	800	3	4
262	Jiali Gao	12	800	4	8
264	Christopher Cramer	11	799	11	15
265	Yirong Mo	15	797	3	4
266	Francisco Lopez Gejo	1	796	1	1
267	Qinxue Chen	1	794	4	2
268	Jiřı́ Šponer	3	788	21	10
269	Chris Sander	1	785	46	32
269	Philip Lijnzaad	1	785	6	2
271	Jan M L Martin	12	784	6	6
272	K Anton Feenstra	2	783	5	1
273	Jean-Philip Piquemal	22	776	2	2
274	Heather A Carlson	4	772	6	2
275	Wenbo Yu	3	752	2	1
277	Ting-Jun Hou	2	750	34	8
279	Antonio Frontera	4	747	36	13
279	Chaok Seok	8	747	3	3
281	Maria J. Ramos	15	746	4	4
282	Markus Christen	2	740	1	1
283	Edward F C Byrd	3	734	5	3
284	Yuko Okamoto	9	732	7	4
285	John E Stone	2	731	4	4
285	David J Hardy	2	731	2	2
287	Joachim Sauer	5	728	17	13
288	Russo Nino	20	724	6	9
289	Richard A Friesner	10	720	4	13
290	Sason Shaik	11	717	8	10
291	Nilesh K Banavali	2	711	7	2
291	Elmar Krieger	1	711	2	3
293	J Raul Alvarez-Idaboy	6	709	7	1
294	Daan P Geerke	4	705	2	1
295	Yaoqi Zhou	14	697	4	5
296	Dennis R Salahub	4	692	9	6
297	Ödön Farkas	4	688	3	1
298	Thomas R Furlani	2	684	1	3
299	Hiromi Nakai	29	682	3	3
300	Nicholas A Besley	5	681	8	5
301	György G Ferenczy	9	680	1	1
302	Gerd B Rocha	6	679	2	1
302	Pedro Alexandrino Fernandes	12	679	6	3
304	Saeedreza Emamian	1	678	10	1
304	Holger Kruse	1	678	9	2
306	Annia Galano	4	662	13	6
307	Michele Pavone	2	661	12	1
308	Carlo Adamo	21	660	7	9
308	Christian Ochsenfeld	3	660	9	7
308	Fumio Hirata	7	660	6	5
308	Martin Kaupp	7	660	14	9
312	Xibing He	1	659	9	1
313	Jill E Gready	19	657	1	2
314	Daniel Forrer	1	653	5	1
314	Maurizio Casarin	1	653	20	1
314	Trent E Balius	4	653	1	1
314	Mauro Sambi	1	653	15	1
314	Robert C Rizzo	4	653	2	1
314	Andrea Vittadini	1	653	20	4
320	Alfredo M Simas	3	652	12	2
321	Kimihiko Hirao	20	639	4	3
322	Jan Florian	2	635	11	4
322	Jean-Louis Rivail	4	635	1	1
324	Troy Van Voorhis	2	633	11	7
325	Walter Rocchia	1	631	11	2
326	Angel Martín Pendás	12	630	5	6
327	Florian Weigend	3	629	12	7
328	Sudipto Mukherjee	3	628	1	1
329	Yuedong Yang	12	626	2	2
330	Paul R Rablen	1	623	8	3
331	Marek Sierka	9	621	3	5
332	Jiří Černý	1	620	16	2
333	Peter L Freddolino	1	619	14	3
334	Aaron M Lee	1	617	8	3
334	Naoto Ishikawa	1	617	12	4
334	Chao-Ping Hsu	1	617	20	4
334	Steven Gwaltney	1	617	8	4
334	David Sherrill	1	617	1	1
340	Wei Wang	1	615	1	3
340	Youyong Li	1	615	63	14
340	Wei Wang	1	615	9	1
343	Henry F Schaefer	19	614	10	13
343	Evangelos A Coutsias	5	614	1	1
345	Benoit Roux	12	608	9	16
346	Eric Hénon	2	604	1	2
346	Peter Eastman	3	604	1	3
348	Freddie R Salsbury	2	596	9	1
349	Riccardo Baron	1	592	12	2
349	Daniel Trzesniak	1	592	3	1
351	Christina Ertural	2	591	1	1
351	Ryky Nelson	2	591	1	1
353	Andreas Klamt	4	590	8	9
354	Paul l A Popelier	22	589	1	3
355	Carsten Kutzner	3	588	1	2
356	Alberto Del Rio	2	585	6	1
357	Paul G Mezey	19	577	2	3
358	Gianluca Degliesposti	1	569	7	2
358	Giulio Rastelli	1	569	22	4
360	Josep M Bofill	20	568	1	2
361	Ulrich H E Hansmann	4	566	11	3
362	Francesc Illas Riera	15	562	10	17
363	Richard W Pastor	3	551	6	8
364	Kuo-Chen Chou	4	550	19	21
365	Wesley D Allen	6	548	5	6
366	Justin A Lemkul	7	541	1	2
367	Hui Sun Lee	3	539	2	1
368	Garrett B Goh	1	537	4	1
368	Abhinav Vishnu	1	537	3	1
370	Seonghoon Kim	2	535	3	1
371	Ester Papa	2	532	11	2
372	Olgun Guvench	3	531	2	2
373	Janine George	1	523	10	1
373	Geoffroy Hautier	1	523	23	10
375	Sebastian Kozuch	2	521	13	5
376	Guangjiu Zhao	4	520	4	5
377	Stanislaw Oldziej	4	516	3	2
378	Gabriel Merino	8	511	5	6
380	Jeremy C Smith	14	510	6	11
380	Bernd M Rode	14	510	7	4
382	John B O Mitchell	5	509	6	4
383	Stephen C Harvey	6	502	8	3
384	Vladimir G Malkin	4	501	5	4
384	Olga L Malkina	4	501	6	5
386	Gernot Frenking	4	499	13	13
387	Nicholas M Glykos	4	496	2	1
388	Roberto Dias Lins Neto	4	494	3	1
389	Christopher M Bruns	1	486	2	2
390	Alexander I Boldyrev	7	484	12	12
391	John W Brady	1	483	14	3
391	Mario Blanco	2	483	4	3
391	Pedro A Fernandes	7	483	6	3
394	Marcel Swart	6	481	7	5
394	Szilárd Páll	2	481	1	5
394	Xiaoqin Zou	8	481	2	2
397	Donald Bashford	3	479	5	8
398	Humbert González-Díaz	8	478	8	5
399	Dimitris K Agrafiotis	11	476	3	3
400	Antonio Rodríguez-Fortea	1	472	23	4
400	Thomas S Hofer	13	472	4	1
403	Michael F Crowley	2	467	14	4
403	Kevin J Naidoo	10	467	2	2
405	William Hase	3	466	16	8
406	Michael B Hall	5	463	14	7
407	Jordi Poater	8	462	5	6
407	William Goddard	7	462	22	31
409	Ferran Feixas	4	457	3	1
410	George A Kaminski	9	456	1	3
410	Lukasz A Kurgan	4	456	9	6
412	Eduard Matito	4	453	8	5
413	John T Mongan	1	450	7	3
414	David M Ferguson	9	448	2	4
414	Tamar Schlick	10	448	6	9
416	Evelio E Francisco Miguélez	7	442	6	8
417	Amir Karton	10	441	4	5
418	Yuji Sugita	12	439	4	7
419	Joachim Laun	4	438	1	1
420	Milan Randić	16	435	5	6
421	Cherumuttathu H Suresh	16	430	2	7
422	Ruhong Zhou	3	429	20	11
423	Rafael Lopez Fernandez	16	427	1	1
424	Victor Guallar	3	426	14	3
424	Jorge Barroso	4	426	6	6
424	Patrick Bultinck	14	426	4	5
427	Christoph van Wüllen	8	425	2	4
428	Bernard Silvi	8	423	2	4
429	Michelle M Kuttel	5	421	2	1
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	Konrad Hinsen	4	399	4	2
443	Rebecca Sure	3	398	2	1
444	Bernd Hartke	8	397	3	4
445	Piero Procacci	5	396	6	3
446	Dariusz Plewczynski	2	390	22	6
447	Sarah L Price	4	386	12	13
447	Massimo Marchi	4	386	5	4
449	Oleg V Tsodikov	1	382	12	1
449	Pedro Salvador Sedano	8	382	2	2
449	M Thomas Record	1	382	11	6
452	Shridhar R Gadre	10	381	5	5
452	Kunal Roy	2	381	37	9
452	Indrani Mitra	2	381	2	4
455	Wolfgang Quapp	11	380	3	2
455	Yang Zhang	1	380	21	13
455	Paul M Zimmerman	4	380	7	4
458	Hui Li	4	379	2	2
459	U Deva Priyakumar	4	374	5	1
460	Stefano Corni	4	373	11	5
462	Siewert-Jan Marrink	3	368	16	20
463	Trond Saue	3	367	6	4
463	Thomas Simonson	16	367	1	3
465	Supratik Kar	1	366	19	3
465	Rudra Narayan Das	1	366	7	3
465	Probir Kumar Ojha	1	366	12	3
469	András Perczel	11	361	1	2
470	Robert Ponec	9	359	2	3
471	Xin Xu	18	357	2	8
472	Camilo Aponte-Santamaría	1	355	6	1
473	Alberto Vela	4	354	8	4
473	Sheng-You Huang	3	354	5	7
475	Manuel F Ruiz-López	10	349	7	5
476	Malcolm E Davis	4	348	1	4
476	Ren-Xiao Wang	2	348	8	7
476	Renxiao Wang	2	348	6	9
479	Jorge Vila	6	347	3	2
481	Matthew Jacobson	2	346	22	16
481	Mariusz Kłobukowski	6	346	1	1
483	Michel Dupuis	5	344	3	6
484	Michael Bühl	3	342	13	5
485	Celestino Angeli	7	341	5	6
486	Michel Rérat	4	340	11	6
487	Alfred D French	6	339	4	4
488	Kwang S Kim	8	337	19	38
488	Vladimir G Tsirelson	5	337	5	2
488	Rohit V Pappu	2	337	15	16
491	Jonathan W Essex	8	334	4	5
491	Bernd Engels	15	334	6	7
493	James A Platts	3	333	21	9
493	Henryk A Witek	4	333	4	3
495	Jooyoung Lee	2	331	4	1
496	Thomas Heine	2	330	39	24
496	Irina Moreira	2	330	9	2
499	Janet M Thornton	3	328	22	24
500	W Gero Schmidt	13	326	3	4
501	Eugenio Eu Uriarte	6	325	11	9
501	Michele Parrinello	3	325	18	25
504	Bela Paizs	4	324	6	5
506	Massimiliano Bonomi	2	322	7	8
507	Jonathan D Hirst	7	320	6	6
508	Jooyoung Lee	2	319	3	2
509	Trygve Helgaker	6	318	11	11
510	Clara D Christ	2	317	2	1
510	Guillermo Ramirez	9	317	2	1
512	Thanh N Truong	4	316	4	3
513	Andrew R Leach	5	315	3	8
513	Richard Lavery	9	315	5	8
515	David Poger	2	313	4	2
516	Steven L Dixon	5	310	1	6
517	Carlo Gatti	5	309	7	10
517	Arturo Robertazzi	2	309	3	1
519	Rafal Augustyniak	1	308	3	1
520	Haruki Nakamura	10	307	2	10
520	Robert A Evarestov	16	307	3	3
520	Andreas Vitalis	1	307	7	3
523	Barry T Pickup	1	306	10	1
524	Thomas Frauenheim	4	305	26	19
525	Mark P Waller	5	303	1	4
526	Ilaria Ciofini	18	302	1	11
527	Jaewoon Jung	6	301	1	1
527	Benedetta Mennucci	6	301	12	17
527	J Andrés	7	301	14	18
530	Shuanghong Huo	3	300	4	2
531	Chigusa Kobayashi	4	298	3	1
531	Claude Pouchan	7	298	4	2
533	Alessandro Barducci	1	297	9	5
534	B J Berne	1	296	12	11
535	Adam Liwo	15	295	4	8
535	Carles Curutchet	6	295	4	4
537	Zaida Luthey-Schulten	2	293	10	7
538	Philippe Derreumaux	4	292	7	9
538	Samuel Genheden	4	292	4	3
538	Josep Anglada	7	292	5	5
541	Johan Åqvist	3	291	13	15
542	Tuo Zhang	2	290	6	6
542	Ricardo A Mosquera	9	290	4	3
544	Per E M Siegbahn	10	289	7	13
545	Peter Comba	5	288	8	7
545	Angela K Wilson	7	288	5	9
547	Rochus Schmid	5	287	5	5
548	Attila G Császár	10	285	6	13
549	Julien Pilmé	9	284	1	1
549	Paul Ayers	12	284	9	14
551	Xueguang Shao	7	283	11	5
551	Hsien-Da Huang	7	283	4	13
553	Lars V Schäfer	3	281	9	6
553	George C Shields	4	281	5	5
555	Tzong-Yi Lee	5	280	5	5
555	James M Briggs	2	280	8	7
558	Hu-Jun Qian	3	279	6	4
558	Edward F Valeev	2	279	7	9
560	Masato Kobayashi	7	278	2	2
560	Brian N Dominy	5	278	1	2
560	Christoph R Jacob	4	278	4	4
563	Per-Ola Norrby	4	277	8	7
563	Tiejun Cheng	1	277	7	5
563	Xun Li	1	277	5	3
563	Andreas W Götz	8	277	3	4
567	Pedro J Ballester	1	275	14	5
568	Wen Lai Huang	3	274	4	1
569	Andriy Kovalenko	2	273	13	6
569	Arnim Hellweg	4	273	1	4
572	David R Bevan	1	272	21	5
572	Michael Schindler	3	272	3	5
574	Israel Fernandez	6	271	13	9
574	Yajun Zheng	3	271	5	3
576	D Peter Tieleman	4	270	12	20
577	Gerhard Hummer	2	268	23	24
577	Tetsuya Taketsugu	13	268	6	9
577	Peter Politzer	5	268	14	25
580	Huai Sun	5	267	3	4
580	Michael Holst	1	267	7	1
580	Kyu Il Lee	2	267	2	1
583	Shawn T Brown	2	266	13	6
583	David E Hibbs	2	266	10	2
585	Alexander P Lyubartsev	5	265	6	10
586	Zhong-Yuan Lu	3	262	12	9
586	Carlos Aleman	13	262	12	14
588	Jaroslav V Burda	9	261	3	4
588	Norio Yoshida	6	261	5	3
588	Pratim Kumar Chattaraj	12	261	5	9
588	Miquel Duran	7	261	4	7
592	Michael Dolg	5	260	16	15
593	Mikhail V Vener	1	259	19	5
593	C Richard A Catlow	2	259	59	41
593	Lee G Pedersen	9	259	3	11
593	Andrei V Churakov	1	259	49	8
597	Rollin A King	1	258	3	5
597	T Daniel Crawford	1	258	18	8
597	Jun-ya Hasegawa	8	258	2	4
600	Uwe Huniar	1	257	3	2
601	Bhyravabhotla Jayaram	6	255	2	8
601	You-Liang Zhu	3	255	8	2
603	Yingkai Zhang	3	254	9	7
603	Takaharu Mori	5	254	1	3
603	Robert J Harrison	6	254	2	6
603	Sriram Krishnan	1	254	2	1
603	Wilfred W Li	1	254	3	1
608	Kaori Fukuzawa	4	253	7	4
608	Qiang Cui	5	253	8	11
608	David A Kofke	3	253	10	6
608	Mauro Ferrero	1	253	2	2
612	Jeffrey Skolnick	6	252	4	9
612	Jerzy Cioslowski	5	252	4	3
612	Hong Liu	2	252	8	2
615	Michael Hirsch	3	251	2	1
615	Jiří Vondrášek	1	251	22	4
618	Charles H Reynolds	1	250	11	7
618	Roberto Improta	5	250	12	13
618	Francesco Rao	3	250	2	4
622	Maurizio Persico	6	248	8	11
622	Christel M Marian	4	248	10	9
622	Sang-Jun Park	2	248	3	2
625	H Georg Schreckenbach	3	247	12	12
625	Hiroshi Nakatsuji	7	247	4	7
627	Gerald R Kneller	4	246	3	3
627	Silvia Casassa	2	246	8	5
629	Andrei V Bandura	11	245	1	6
629	Alexandru T Balaban	9	245	5	7
631	Christopher A Reynolds	8	244	3	5
632	Janet E Del Bene	11	243	4	8
633	Yu-Dong Cai	5	242	17	17
633	Pál Jedlovszky	2	242	10	5
633	Gyorgy Hantal	2	242	4	2
636	Robert J Deeth	6	241	5	10
637	Emilia Sicilia	9	240	2	4
637	Shu-Hua Li	5	240	13	11
637	Chan Kyung Kim	15	240	2	4
637	Jonathan M Goodman	1	240	26	11
641	Cezary Czaplewski	5	238	5	5
641	Xavier Assfeld	8	238	4	4
643	Elisa Molinari	1	237	29	10
643	Yoong-Kee Choe	3	237	3	3
645	Gábor I Csonka	9	236	3	8
645	Yuto Komeiji	4	236	3	3
647	Agusti Lledos	9	235	11	11
648	Junichi Higo	8	234	1	3
648	Pemra Doruker	2	234	8	6
648	Prasad Bharatam	9	234	4	5
648	Veronique Van Speybroeck	3	234	29	31
648	Hisashi Okumura	9	234	3	2
653	David A Pearlman	5	233	2	7
654	Ran Friedman	1	232	17	2
654	Angelo Nicola Felline	1	232	4	1
654	Soohyung Park	2	232	5	2
654	Christof Hattig	6	232	7	14
654	Francesco Raimondi	1	232	10	3
654	Francesca Fanelli	1	232	34	7
654	Stefanie Muff	1	232	5	4
654	Ian Gould	5	232	2	3
654	Michele Seeber	1	232	4	2
654	Angelo Felline	1	232	5	1
664	dimas Suarez	8	231	3	4
665	Petr Malon	2	230	5	2
665	Wen-Chi Chang	3	230	3	4
665	Justin Bo-Kai Hsu	3	230	1	2
668	Xiao-Ying Zhang	15	229	3	18
669	Antonio M Márquez	4	228	5	3
669	Natalie Fey	4	228	6	5
671	Lyudmila V Slipchenko	4	227	4	9
671	Jordi Mestres	6	227	1	6
671	Miroslav Kohout	6	227	3	5
674	Munir Skaf	2	226	9	5
674	Jan Wenzel	2	226	2	3
674	Kuldip Paliwal	3	226	3	5
677	Mark J Abraham	2	225	1	4
677	Mietek Jaroniec	1	225	82	48
679	Jing-Ping Zhang	14	224	3	12
679	Coen de Graaf	6	224	9	12
679	Ivet Bahar	1	224	32	19
679	Klaus R. Liedl	7	224	12	11
679	Timothy A Keiderling	1	224	23	9
679	Steve Scheiner	9	224	11	15
679	Robert L Jernigan	1	224	35	12
679	Lucie Bednárová	1	224	15	1
679	Andrew H Beaven	1	224	3	1
688	Renzo Cimiraglia	3	223	8	5
689	Sonja Herres-Pawlis	8	222	4	5
689	G Narahari Sastry	8	222	5	10
691	Hermann Stoll	1	221	11	11
691	Yoshifumi Nishimura	6	221	6	8
691	Mitsunori Ikeguchi	4	221	5	3
694	Hans-Joachim Werner	2	220	15	14
695	Rhys Heffernan	2	217	1	4
695	James Lyons	2	217	5	3
697	Denis Usvyat	1	216	9	5
697	Martin Schütz	1	216	16	10
699	Ke Chen	2	214	2	2
699	Igor Ying Zhang	7	214	1	4
699	Manuel Yanez	7	214	18	14
702	Aurora Clark	3	212	12	6
702	Edward J Maginn	3	212	15	18
702	Fernanda Borges	4	212	16	15
705	Miguel Ángel Méndez Rojas	1	211	22	2
705	Carmen Herrmann	11	211	1	4
707	Takao Tsuneda	9	210	2	2
708	Eshel Faraggi	1	209	4	2
708	Zhong-Fang Chen	4	209	18	29
708	Pierre Tuffery	3	209	5	5
712	Lin Li	6	208	1	3
712	Toon Verstraelen	3	208	6	6
714	Marcus Elstner	4	207	6	9
715	Andreas Savin	3	206	12	10
715	Massimiliano Bartolomei	6	206	5	4
715	Takeshi Ishikawa	4	206	2	2
715	Minh Tho Nguyen	10	206	14	16
719	Sofie Van Damme	6	205	1	2
720	Andrey Toropov	5	204	15	11
720	Gromiha Michael	4	204	16	9
720	Ernst-Walter Knapp	7	204	8	12
720	Emilio Benfenati	5	204	28	18
720	Alla P Toropova	5	204	14	7
725	Bruce R Donald	3	203	4	7
725	Zhong-Zhi Yang	8	203	3	3
727	Bobby G Sumpter	6	202	27	32
727	Jijun Zhao	5	202	35	41
729	Zhan-Wei Li	1	201	8	1
729	Andreas M Köster	3	201	7	2
729	Andrew Ferguson	2	201	12	7
729	David Casanova	6	201	8	13
729	Cheng Wang	1	201	3	1
734	Roman A Laskowski	2	200	13	18
735	Daniel Seeliger	1	199	3	2
735	Vytautas Gapsys	1	199	10	3
735	Mikko Karttunen	1	199	63	29
735	Noam Agmon	2	199	14	11
735	Jane S Murray	4	199	10	19
735	Servaas Michielssens	1	199	4	1
741	Elfi Kraka	5	198	13	16
742	Jan Řezáč	4	197	6	8
742	Krzysztof Woliński	4	197	2	2
742	Masahiro Ehara	10	197	6	8
742	Yinglong Miao	4	197	6	7
742	Mahmoud A A Ibrahim	1	197	20	2
747	Robin Taylor	1	195	11	12
747	Qian-Zhong Li	2	195	6	3
747	Paulo Ct Souza	2	195	6	6
750	Kazuya Ishimura	5	194	1	1
751	Tatsuya Nakano	3	193	2	2
751	Ying Xue	12	193	1	4
753	Yifan Song	1	192	2	1
753	M R Gunner	1	192	11	5
755	Louis Vanduyfhuys	2	191	4	2
756	Josep M Luis	5	190	8	8
756	Milan Hodošček	1	190	3	1
758	Neetha Mohan	4	189	1	2
758	Jean Christophe Tremblay	4	189	6	2
758	David E Shaw	1	189	22	22
758	Yasuteru Shigeta	12	189	5	8
758	Jiří Kolafa	1	189	13	5
758	Dieter Cremer	4	189	10	12
764	Fangqiang Zhu	1	187	7	3
765	James P Finley	1	186	4	2
765	Marcos Raydan	2	186	8	5
767	Lourdes Santana	3	185	18	9
767	Reinhold F Fink	7	185	4	8
769	Yu Harabuchi	4	184	3	2
769	Wolfram Koch	7	184	8	8
769	Jaroslav Koca	6	184	7	9
769	Bryan M Wong	6	184	6	14
769	Wojciech Plazinski	4	184	5	4
769	José Diogo L Dutra	1	184	13	1
775	Louis Lagardère	3	183	5	3
775	Kendall Houk	4	183	20	23
775	Roger A Klein	2	183	6	4
778	Thiago C F Gomes	1	181	1	2
778	Lívia B Pártay	1	181	8	2
778	Munir S Skaf	1	181	12	6
778	Árpád Vincze	1	181	2	1
782	Gunter Hermann	3	180	1	1
782	David P Tew	2	180	11	8
782	Vincent Pohl	3	180	1	1
782	Rainer Koch	1	180	20	2
786	Philippe Carbonniere	1	179	4	1
786	Mark A Spackman	3	179	16	17
786	Jens J Oddershede	1	179	7	8
789	Martin Quack	2	178	20	18
789	Thereza A Soares	2	178	5	5
789	Maykel Cruz-Monteagudo	3	178	1	2
789	Sebastian Höfener	7	178	3	4
793	Yuji Mochizuki	5	177	6	6
793	Yosuke Sumiya	2	177	2	1
795	Otilia Mo Romero	5	176	18	14
796	Vincent Tognetti	3	175	7	4
796	Pieter F W Stouten	1	175	11	4
798	Shant Shahbazian	2	174	8	4
798	Tomasz Rog	1	174	29	14
798	Marcos Mandado Alonso	5	174	4	4
801	Yong Wu	5	172	5	5
801	Joseph D Yesselman	2	172	3	1
803	Di Wu	5	171	10	11
803	Toyokazu Ishida	3	171	2	4
803	David Danovich	4	171	7	11
803	Yuriko Ono	2	171	5	2
807	Julien Maupetit	1	170	4	5
807	Leo Radom	7	170	10	18
807	Antonio Lagana	5	170	7	6
807	Yu Takano	9	170	3	6
811	Kenichiro Saita	2	169	3	1
811	Markus Meuwly	4	169	8	8
813	Seung Kyu Min	2	168	6	7
813	Ivari Kaljurand	1	168	8	6
813	Agnes Kütt	1	168	5	5
813	Ivo Leito	1	168	34	15
813	Jean-Didier Maréchal	6	168	1	3
818	Raymond J Abraham	4	167	7	3
818	Kimichi Suzuki	2	167	2	1
818	José M Lluch	13	167	8	9
818	Mark Pinsky	4	167	3	3
822	Xiang-Yuan Li	12	166	2	4
822	Marcia O Fenley	4	166	2	3
822	Benoît Ît Champagne	6	166	14	16
822	Stephan Reiling	2	166	1	2
826	Robert K Szilagyi	5	165	5	8
826	M Michael Gromiha	3	165	9	8
828	Juan I Rodríguez	3	164	2	2
828	Jean-Luc Fattebert	1	164	5	4
828	François Gygi	1	164	11	10
828	Pawel M Kozlowski	2	164	13	8
832	Maria Kontoyianni	3	163	1	2
832	Paul Fleurat-Lessard	4	163	6	4
834	Karsten Krogh-Jespersen	5	162	2	2
834	Marcus Lundberg	4	162	3	5
834	Ulrike Salzner	3	162	6	9
834	Tomoo Miyahara	3	162	2	1
834	Kelin Xia	5	162	3	3
839	Eamonn F Healy	3	161	5	4
839	David W Ritchie	1	161	6	6
839	Peter L Cummins	5	161	1	1
842	Hsin-Tsung Chen	4	160	9	4
842	Thomas E Exner	2	160	6	6
842	Fausto Cargnoni	1	160	11	3
842	Luca Bertini	1	160	15	5
846	Wolfgang Wenzel	8	159	8	15
846	Roberto A Boto	2	159	1	2
848	Ryoichi Fukuda	9	158	2	3
848	Zdzisław Xl;law Latajka	5	158	5	6
850	Hao Lin	1	157	37	22
850	Rong-Zhen Liao	3	157	9	7
850	Bojan Zagrovic	1	157	12	9
853	Wenjian Liu	7	156	3	8
853	Stephan Irle	6	156	13	20
855	Piero Ugliengo	2	155	25	20
855	Wei Chen	1	155	2	2
855	Peter Schreiner	5	155	16	26
855	Haruyuki Nakano	5	155	5	6
855	Ilia A Solov'yov	5	155	6	6
860	Leo Lue	2	154	10	6
860	David J Willock	1	154	46	31
860	Haruo Hosoya	5	154	5	5
863	Neeraj Sharma	1	153	1	1
863	Wenlan Liu	4	153	1	3
865	Daiqian Xie	10	152	5	9
865	Jianhan Chen	8	152	1	9
865	Mihaly Mezei	5	152	6	6
868	Oleg Borodin	3	151	21	35
868	William A Goddard	4	151	30	57
870	Bart M H Bruininks	1	150	1	2
870	Francesc Viñes	4	150	9	19
870	Joanna Trylska	4	150	6	4
870	Efthimios Kaxiras	1	150	38	26
870	Pin-Chia Hsu	1	150	3	1
870	Àngels González-Lafont	11	150	4	6
876	Benedict Leimkuhler	1	149	6	2
876	Juan Jesús Pérez	5	149	8	4
876	Andrzej Rzepiela	1	149	3	4
876	Andrea Lombardi	3	149	8	5
876	Fernando Pirani	4	149	16	14
876	Christoph Loschen	2	149	1	2
876	Nicolae Goga	1	149	1	1
883	Chung F Wong	6	148	2	3
883	Angelika Baranowska-Łączkowska	6	148	1	1
883	Dmitry Zuev	2	148	2	3
886	Rafael Islas	3	147	2	7
886	Leonid Gorb	7	147	5	10
886	Palii Andrew	4	147	10	7
886	Andrea Cavalli	5	147	10	29
886	Sergio F Sousa	4	147	5	4
886	Shigenori Tanaka	4	147	7	7
886	Andreas Windemuth	1	147	9	9
886	Andrey V Solov'yov	4	147	7	8
894	Shoji Takada	2	146	14	10
894	Yi-Gui Wang	4	146	2	1
894	Hai-Bo Yu	4	146	2	10
894	Jose Elguero	3	146	57	47
894	Miquel Torrent-Sucarrat	3	146	5	7
899	Mirosław Jabłoński	8	145	2	2
899	Martin Kleinschmidt	1	145	6	2
901	Xavier Rozanska	2	144	4	6
901	Chang-Guo Zhan	5	144	14	17
901	Kathleen A Durkin	3	144	4	6
901	Dongwook Kim	1	144	17	7
901	Jian Wan	6	144	2	3
906	Ani Anciaux-Sedrakian	1	143	2	1
906	Gustavo E Scuseria	3	143	14	20
908	Pär Söderhjelm	5	142	4	6
908	Farnaz Heidar-Zadeh	3	142	3	2
910	Ryuhei Harada	8	141	2	1
910	Yu-Yen Ou	3	141	6	5
910	Klaus Ruedenberg	3	141	7	8
913	Gisbert Schneider	9	140	10	34
913	Narutoshi Kamiya	5	140	3	5
913	Carlos Jaime	2	140	11	3
913	Emili Besalu	5	140	2	3
918	Lorenzo Rovigatti	2	139	9	7
918	Waclaw Andrzej Sokalski	8	139	5	7
918	Weihua Zhu	3	139	15	8
918	Young Min Rhee	2	139	14	12
918	Flavio Romano	2	139	6	7
918	Jan Antosiewicz	1	139	16	7
918	Petr Sulc	2	139	3	6
918	Adrian H Elcock	1	139	16	12
926	Hongjun Xiang	1	138	26	15
926	Myung-Hwan Whangbo	1	138	38	20
926	Marco De La Pierre	3	138	4	4
926	Lin Ming-chang	2	138	16	12
930	Koichi Tamura	2	137	1	1
930	Guillermin Agüero-Chapin	2	137	3	1
930	Maria Natália Dias Soeiro Cordeiro	4	137	18	14
933	David Perahia	6	136	4	9
933	Max L Berkowitz	1	136	14	13
933	Gilles Ohanessian	2	136	12	6
933	Alexey Savelyev	1	136	5	4
933	Axel Gross	1	136	37	24
938	Arghya Chakavorty	5	135	1	1
939	Assoc Prof Bo Durbeej	4	134	3	4
939	Michio Katouda	6	134	1	2
939	Ryan P Steele	1	134	7	5
939	Robert A Distasio Jr	1	134	14	15
939	Roy L. Johnston	4	134	12	22
939	Stephane Redon	11	134	1	2
945	Abdul Sattar	1	133	18	6
945	Abdollah Dehzangi	1	133	11	6
945	Abdul Sattar	1	133	16	6
945	Friedhelm Bechstedt	2	133	28	21
945	Alexander V Nemukhin	4	133	15	8
945	Alok Sharma	1	133	22	12
945	Van V Vu	4	133	5	8
945	Son Tung Ngo	4	133	6	5
945	Yasuhiro Matsunaga	1	133	7	2
954	Martin Rahm	2	132	9	5
954	Yun Geng	2	132	14	7
954	Lingpeng Meng	8	132	2	2
954	Sereina Riniker	3	132	10	9
954	Masahiko Hada	11	132	3	7
954	Genyuan Li	4	132	3	4
960	Anne Imberty	2	131	31	36
960	Tomoshi Kameda	1	131	15	3
960	Tsuyoshi Terakawa	1	131	6	6
960	Mark A Murcko	5	131	3	12
960	Saulo A Vazquez	6	131	6	5
960	Chin-Kun Hu	6	131	10	12
960	Gregory K Pierens	1	131	8	3
960	J Ulises Reveles	1	131	4	3
960	Govinda Kc	1	131	1	1
960	Millard H Lambert	3	131	5	13
970	Ahmet Altun	2	130	9	7
970	Alejandro Gaita-Arińo	3	130	6	11
970	José J Baldoví	3	130	5	5
970	Wataru Shinoda	3	130	11	13
970	Juan Cortes	3	130	3	4
970	Hiroki Kaneko	2	130	2	2
970	Prabal K. Maiti	2	130	18	15
970	Werner Reckien	1	130	6	2
970	Hai-Bin Li	1	130	10	6
979	Richard H Henchman	4	129	4	8
979	Peter Güntert	1	129	32	21
979	Hong-Liang Xu	4	129	6	8
979	Shandar Ahmad	2	129	11	5
979	Beate Paulus	5	129	1	2
979	Martin Billeter	1	129	15	8
979	Kurt Wüthrich	1	129	28	22
986	Maurizio Sironi	3	128	4	4
986	Xavier Barril	4	128	3	11
986	Miquel Garcia-Ratés	3	128	1	1
986	Kazuo Kuwata	1	128	13	6
986	Daniel Sindhikara	1	128	4	3
986	Kenneth Ruud	5	128	11	20
986	Yovani Marrero-Ponce	6	128	6	8
986	Jong-Won Song	9	128	2	2
986	Minoru Sakurai	7	128	2	5
986	Constantinos C Pantelides	1	128	8	7
996	Efthymios I Ioannidis	1	127	2	2
996	René de Gelder	2	127	24	13
996	Nisanth N Nair	10	127	1	5
996	Heather J Kulik	1	127	20	16
996	Duan Chen	1	127	4	2

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