Journal of Computational Chemistry

2.7(top 20%)

impact factor

8.5K(top 2%)

papers

703.7K(top 1%)

citations

257(top 1%)

h-index

2.7(top 20%)

extended IF

10.0K

all documents

745.4K

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	19	4,098	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	14	2,686	15	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	27	1,437	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	26	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	28	1,185	7	11
225	Werner Braun	4	1,183	7	2
226	Harold A Scheraga	28	1,165	4	5
227	Michelle M Francl	2	1,130	6	3
228	Arieh Warshel	4	1,123	7	8
229	Arup K Ghose	3	1,107	2	2
230	Iñaki Tuñón	6	1,085	7	2
231	Dmitri G Fedorov	12	1,071	4	3
232	Dirk Reith	1	1,067	13	1
233	Peter M W Gill	8	1,062	7	5
234	Sandeep Patel	10	1,059	2	1
235	Wendy D Cornell	4	1,049	1	2
236	Pengyu Ren	9	1,036	3	4
237	Ramon Carbó-Dorca i Carré	22	1,026	2	3
238	Robert Fraczkiewicz	2	1,024	2	1
239	C David Sherrill	5	1,021	7	8
240	Peter J Steinbach	1	1,002	8	2
241	YIhan Shao	6	991	5	4
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	Christopher Cramer	12	853	11	14
257	Ricardo O Freire	3	836	11	1
258	Lukas D Schuler	2	827	1	1
259	Bert L De Groot	5	823	6	8
260	Ke-Li Han	10	817	13	12
260	Johannes Neugebauer	7	817	4	2
262	Lucas Visscher	14	811	4	3
263	Nathan A Baker	6	800	3	4
263	Jiali Gao	12	800	4	8
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	Yuko Okamoto	10	770	7	4
276	Wenbo Yu	3	752	2	1
278	Ting-Jun Hou	2	750	34	8
280	Antonio Frontera	4	747	36	13
280	Chaok Seok	8	747	3	3
282	Maria J. Ramos	15	746	4	4
283	Markus Christen	2	740	1	1
284	Edward F C Byrd	3	734	5	3
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	Fumio Hirata	8	698	6	5
296	Yaoqi Zhou	14	697	4	5
297	Dennis R Salahub	4	692	9	6
298	Ödön Farkas	4	688	3	1
299	Thomas R Furlani	2	684	1	3
300	Hiromi Nakai	29	682	3	3
301	Nicholas A Besley	5	681	8	5
302	György G Ferenczy	9	680	1	1
303	Gerd B Rocha	6	679	2	1
303	Pedro Alexandrino Fernandes	12	679	6	3
305	Saeedreza Emamian	1	678	10	1
305	Holger Kruse	1	678	9	2
307	Annia Galano	4	662	13	6
308	Michele Pavone	2	661	12	1
309	Carlo Adamo	21	660	7	9
309	Christian Ochsenfeld	3	660	9	7
309	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	Trygve Helgaker	7	352	11	10
476	Manuel F Ruiz-López	10	349	7	5
477	Malcolm E Davis	4	348	1	4
477	Ren-Xiao Wang	2	348	8	7
477	Renxiao Wang	2	348	6	9
480	Jorge Vila	6	347	3	2
482	Matthew Jacobson	2	346	22	16
482	Mariusz Kłobukowski	6	346	1	1
484	Michel Dupuis	5	344	3	6
485	Michael Bühl	3	342	13	5
486	Manuel Yanez	8	341	17	10
486	Celestino Angeli	7	341	5	6
488	Michel Rérat	4	340	11	6
489	Alfred D French	6	339	4	4
490	Kwang S Kim	8	337	19	38
490	Vladimir G Tsirelson	5	337	5	2
490	Rohit V Pappu	2	337	15	16
493	Jonathan W Essex	8	334	4	5
493	Bernd Engels	15	334	6	7
495	James A Platts	3	333	21	9
495	Henryk A Witek	4	333	4	3
497	Jooyoung Lee	2	331	5	1
498	Thomas Heine	2	330	39	24
498	Irina Moreira	2	330	9	2
501	Janet M Thornton	3	328	22	24
502	W Gero Schmidt	13	326	3	4
503	Eugenio Eu Uriarte	6	325	11	9
503	Michele Parrinello	3	325	18	25
506	Bela Paizs	4	324	6	5
508	Massimiliano Bonomi	2	322	7	8
509	Jonathan D Hirst	7	320	6	6
510	Jooyoung Lee	2	319	3	2
511	Clara D Christ	2	317	2	1
511	Guillermo Ramirez	9	317	2	1
513	Thanh N Truong	4	316	4	3
514	Andrew R Leach	5	315	3	9
514	Richard Lavery	9	315	5	8
516	David Poger	2	313	4	2
517	Yuto Komeiji	5	311	3	2
518	Steven L Dixon	5	310	1	6
519	Carlo Gatti	5	309	7	10
519	Arturo Robertazzi	2	309	3	1
521	Rafal Augustyniak	1	308	3	1
522	Haruki Nakamura	10	307	2	10
522	Robert A Evarestov	16	307	3	3
522	Andreas Vitalis	1	307	7	3
525	Barry T Pickup	1	306	10	1
526	Thomas Frauenheim	4	305	26	19
527	Mark P Waller	5	303	1	4
527	Otilia Mo Romero	6	303	16	9
529	Ilaria Ciofini	18	302	1	11
530	Jaewoon Jung	6	301	1	1
530	Benedetta Mennucci	6	301	12	17
530	J Andrés	7	301	14	18
533	Shuanghong Huo	3	300	4	2
534	Chigusa Kobayashi	4	298	3	1
534	Claude Pouchan	7	298	4	2
536	Alessandro Barducci	1	297	9	5
537	B J Berne	1	296	12	11
538	Adam Liwo	15	295	4	8
538	Carles Curutchet	6	295	4	4
540	Zaida Luthey-Schulten	2	293	10	7
541	Philippe Derreumaux	4	292	7	9
541	Samuel Genheden	4	292	4	3
541	Josep Anglada	7	292	5	5
544	Johan Åqvist	3	291	13	15
545	Tuo Zhang	2	290	6	6
545	Ricardo A Mosquera	9	290	4	3
547	Per E M Siegbahn	10	289	7	13
548	Peter Comba	5	288	8	7
548	Angela K Wilson	7	288	5	9
550	Rochus Schmid	5	287	5	5
551	Attila G Császár	10	285	6	13
552	Julien Pilmé	9	284	1	1
552	Paul Ayers	12	284	9	14
554	Xueguang Shao	7	283	11	5
554	Hsien-Da Huang	7	283	4	13
556	Lars V Schäfer	3	281	9	6
556	George C Shields	4	281	5	5
558	Tzong-Yi Lee	5	280	5	5
558	James M Briggs	2	280	8	7
561	Hu-Jun Qian	3	279	6	4
561	Edward F Valeev	2	279	7	9
563	Per-Ola Norrby	5	278	5	7
563	Masato Kobayashi	7	278	2	2
563	Brian N Dominy	5	278	1	2
563	Christoph R Jacob	4	278	4	4
567	Tiejun Cheng	1	277	7	5
567	Xun Li	1	277	5	3
567	Andreas W Götz	8	277	3	4
570	Pedro J Ballester	1	275	14	5
571	Wen Lai Huang	3	274	4	1
572	Andriy Kovalenko	2	273	13	6
572	Arnim Hellweg	4	273	1	4
575	David R Bevan	1	272	21	5
575	Michael Schindler	3	272	3	5
577	Israel Fernandez	6	271	13	9
577	Yajun Zheng	3	271	5	3
579	D Peter Tieleman	4	270	12	20
580	Gerhard Hummer	2	268	23	25
580	Tetsuya Taketsugu	13	268	6	9
580	Peter Politzer	5	268	14	25
583	Huai Sun	5	267	3	4
583	Michael Holst	1	267	7	1
583	Kyu Il Lee	2	267	2	1
586	Shawn T Brown	2	266	13	6
586	David E Hibbs	2	266	10	2
588	Alexander P Lyubartsev	5	265	6	10
589	Zhong-Yuan Lu	3	262	12	9
589	Carlos Aleman	13	262	12	14
591	Jaroslav V Burda	9	261	3	4
591	Norio Yoshida	6	261	5	3
591	Pratim Kumar Chattaraj	12	261	5	9
591	Miquel Duran	7	261	4	7
595	Michael Dolg	5	260	16	15
596	Mikhail V Vener	1	259	20	5
596	C Richard A Catlow	2	259	59	41
596	Lee G Pedersen	9	259	3	11
596	Andrei V Churakov	1	259	49	8
600	Rollin A King	1	258	3	5
600	T Daniel Crawford	1	258	18	8
600	Jun-ya Hasegawa	8	258	2	4
603	Uwe Huniar	1	257	3	2
604	Bhyravabhotla Jayaram	6	255	2	8
604	You-Liang Zhu	3	255	8	2
606	Yingkai Zhang	3	254	9	7
606	Takaharu Mori	5	254	1	3
606	Robert J Harrison	6	254	2	6
606	Sriram Krishnan	1	254	2	1
606	Wilfred W Li	1	254	3	1
611	Kaori Fukuzawa	4	253	7	4
611	Qiang Cui	5	253	8	11
611	David A Kofke	3	253	10	6
611	Mauro Ferrero	1	253	2	2
615	Jeffrey Skolnick	6	252	4	9
615	Jerzy Cioslowski	5	252	4	3
615	Hong Liu	2	252	8	2
618	Michael Hirsch	3	251	2	1
618	Jiří Vondrášek	1	251	22	4
621	Charles H Reynolds	1	250	11	7
621	Roberto Improta	5	250	12	13
621	Francesco Rao	3	250	2	4
625	Maurizio Persico	6	248	8	11
625	Christel M Marian	5	248	8	9
625	Sang-Jun Park	2	248	3	2
628	H Georg Schreckenbach	3	247	12	12
628	Hiroshi Nakatsuji	7	247	5	7
630	Gerald R Kneller	4	246	3	3
630	Silvia Casassa	2	246	8	5
632	Andrei V Bandura	11	245	1	6
632	Alexandru T Balaban	9	245	5	7
634	Christopher A Reynolds	8	244	3	5
635	Janet E Del Bene	11	243	4	8
636	Yu-Dong Cai	5	242	17	17
636	Pál Jedlovszky	2	242	10	5
636	Gyorgy Hantal	2	242	4	2
640	Robert J Deeth	6	241	5	10
641	Emilia Sicilia	9	240	2	4
641	Shu-Hua Li	5	240	13	11
641	Chan Kyung Kim	15	240	2	4
641	Jonathan M Goodman	1	240	26	11
645	Cezary Czaplewski	5	238	5	5
645	Xavier Assfeld	8	238	4	4
647	Elisa Molinari	1	237	29	10
647	Yoong-Kee Choe	3	237	3	3
649	Gábor I Csonka	9	236	3	8
649	Agusti Lledos	10	236	8	11
651	Junichi Higo	8	234	1	3
651	Pemra Doruker	2	234	8	6
651	Prasad Bharatam	9	234	4	5
651	Veronique Van Speybroeck	3	234	29	31
651	Hisashi Okumura	9	234	3	2
656	David A Pearlman	5	233	2	7
657	Leticia Gonzalez	5	232	15	17
657	Ran Friedman	1	232	17	2
657	Angelo Nicola Felline	1	232	4	1
657	Soohyung Park	2	232	5	2
657	Christof Hattig	6	232	7	14
657	Francesco Raimondi	1	232	10	3
657	Francesca Fanelli	1	232	35	7
657	Stefanie Muff	1	232	5	4
657	Ian Gould	5	232	2	3
657	Michele Seeber	1	232	4	2
657	Angelo Felline	1	232	5	1
668	dimas Suarez	8	231	3	4
669	Petr Malon	2	230	5	2
669	Wen-Chi Chang	3	230	3	4
669	Justin Bo-Kai Hsu	3	230	1	2
672	Xiao-Ying Zhang	15	229	3	18
673	Antonio M Márquez	4	228	5	3
673	Natalie Fey	4	228	6	5
675	Lyudmila V Slipchenko	4	227	4	9
675	Jordi Mestres	6	227	1	6
675	Miroslav Kohout	6	227	3	5
678	Munir Skaf	2	226	9	5
678	Jan Wenzel	2	226	2	3
678	Kuldip Paliwal	3	226	3	5
681	Mark J Abraham	2	225	1	4
681	Mietek Jaroniec	1	225	82	48
683	Jing-Ping Zhang	14	224	3	12
683	Coen de Graaf	6	224	9	12
683	Ivet Bahar	1	224	32	19
683	Klaus R. Liedl	8	224	11	11
683	Timothy A Keiderling	1	224	23	9
683	Steve Scheiner	9	224	11	15
683	Robert L Jernigan	1	224	35	12
683	Lucie Bednárová	1	224	15	1
683	Andrew H Beaven	1	224	3	1
692	Renzo Cimiraglia	3	223	8	5
693	Sonja Herres-Pawlis	8	222	4	5
693	G Narahari Sastry	8	222	5	10
695	Hermann Stoll	1	221	11	11
695	Yoshifumi Nishimura	6	221	6	8
695	Mitsunori Ikeguchi	4	221	5	3
698	Hans-Joachim Werner	2	220	15	14
699	Rhys Heffernan	2	217	1	4
699	James Lyons	2	217	5	3
701	Denis Usvyat	1	216	9	5
701	Martin Schütz	1	216	16	10
703	Ke Chen	2	214	2	2
703	Igor Ying Zhang	7	214	1	4
705	Aurora Clark	3	212	12	6
705	Edward J Maginn	3	212	15	18
705	Fernanda Borges	4	212	16	15
708	Miguel Ángel Méndez Rojas	1	211	22	2
708	Carmen Herrmann	11	211	1	4
710	Takao Tsuneda	9	210	2	2
711	Eshel Faraggi	1	209	4	2
711	Zhong-Fang Chen	4	209	19	29
711	Pierre Tuffery	3	209	5	5
715	Lin Li	6	208	1	3
715	Toon Verstraelen	3	208	6	6
717	Marcus Elstner	4	207	6	9
718	Andreas Savin	3	206	12	10
718	Massimiliano Bartolomei	6	206	5	4
718	Takeshi Ishikawa	4	206	2	2
718	Minh Tho Nguyen	10	206	14	16
722	Sofie Van Damme	6	205	1	2
723	Andrey Toropov	5	204	15	11
723	Gromiha Michael	4	204	16	9
723	Ernst-Walter Knapp	7	204	8	12
723	Emilio Benfenati	5	204	28	18
723	Alla P Toropova	5	204	14	7
728	Bruce R Donald	3	203	4	7
728	Zhong-Zhi Yang	8	203	3	3
730	Bobby G Sumpter	6	202	27	32
730	Jijun Zhao	5	202	35	41
732	Zhan-Wei Li	1	201	8	1
732	Andreas M Köster	3	201	7	2
732	Andrew Ferguson	2	201	12	7
732	David Casanova	6	201	8	13
732	Cheng Wang	1	201	3	1
737	Roman A Laskowski	2	200	13	18
738	Daniel Seeliger	1	199	3	2
738	Vytautas Gapsys	1	199	10	3
738	Mikko Karttunen	1	199	63	29
738	Noam Agmon	2	199	14	11
738	Jane S Murray	4	199	10	19
738	Servaas Michielssens	1	199	4	1
744	Elfi Kraka	5	198	13	16
745	Jan Řezáč	4	197	6	8
745	Krzysztof Woliński	4	197	2	2
745	Masahiro Ehara	10	197	6	8
745	Yinglong Miao	4	197	6	7
745	Mahmoud A A Ibrahim	1	197	20	2
750	Robin Taylor	1	195	11	12
750	Qian-Zhong Li	2	195	6	3
750	Paulo Ct Souza	2	195	6	6
753	Kazuya Ishimura	5	194	1	1
754	Tatsuya Nakano	3	193	2	2
754	Ying Xue	12	193	1	4
756	Yifan Song	1	192	2	1
756	M R Gunner	1	192	11	5
758	Louis Vanduyfhuys	2	191	4	2
759	Josep M Luis	5	190	8	8
759	Milan Hodošček	1	190	3	1
761	Neetha Mohan	4	189	1	2
761	Jean Christophe Tremblay	4	189	6	2
761	David E Shaw	1	189	22	22
761	Yasuteru Shigeta	12	189	5	8
761	Jiří Kolafa	1	189	13	5
761	Dieter Cremer	4	189	10	12
767	Fangqiang Zhu	1	187	7	3
768	James P Finley	1	186	4	2
768	Marcos Raydan	2	186	8	5
770	Lourdes Santana	3	185	18	9
770	Reinhold F Fink	7	185	4	8
772	Yu Harabuchi	4	184	3	2
772	Wolfram Koch	7	184	9	8
772	Jaroslav Koca	6	184	7	9
772	Bryan M Wong	6	184	6	14
772	Wojciech Plazinski	4	184	5	4
772	José Diogo L Dutra	1	184	13	1
778	Louis Lagardère	3	183	5	3
778	Kendall Houk	4	183	20	23
778	Roger A Klein	2	183	6	4
781	Thiago C F Gomes	1	181	1	2
781	Lívia B Pártay	1	181	8	2
781	Munir S Skaf	1	181	12	6
781	Árpád Vincze	1	181	2	1
785	Gunter Hermann	3	180	1	1
785	David P Tew	2	180	11	8
785	Vincent Pohl	3	180	1	1
785	Rainer Koch	1	180	20	2
789	Philippe Carbonniere	1	179	4	1
789	Mark A Spackman	3	179	16	17
789	Jens J Oddershede	1	179	7	8
792	Martin Quack	2	178	20	18
792	Thereza A Soares	2	178	5	5
792	Maykel Cruz-Monteagudo	3	178	1	2
792	Sebastian Höfener	7	178	3	4
796	Yuji Mochizuki	5	177	6	6
796	Yosuke Sumiya	2	177	2	1
798	Vincent Tognetti	3	175	7	4
798	Pieter F W Stouten	1	175	11	4
800	Shant Shahbazian	2	174	8	4
800	Tomasz Rog	1	174	29	14
800	Marcos Mandado Alonso	5	174	4	4
803	Gregory D Hawkins	2	173	3	5
804	Yong Wu	5	172	5	5
804	Joseph D Yesselman	2	172	3	1
806	Di Wu	5	171	10	11
806	Toyokazu Ishida	3	171	2	4
806	David Danovich	4	171	7	11
806	Yuriko Ono	2	171	5	2
810	Julien Maupetit	1	170	4	5
810	Leo Radom	7	170	10	18
810	Antonio Lagana	5	170	7	6
810	Yu Takano	9	170	3	6
814	Kenichiro Saita	2	169	3	1
814	Markus Meuwly	4	169	8	8
814	Jean-Didier Maréchal	7	169	1	3
817	Seung Kyu Min	2	168	6	7
817	Ivari Kaljurand	1	168	8	6
817	Agnes Kütt	1	168	5	5
817	Ivo Leito	1	168	34	15
821	Raymond J Abraham	4	167	7	3
821	Kimichi Suzuki	2	167	2	1
821	José M Lluch	13	167	8	9
821	Mark Pinsky	4	167	3	3
825	Xiang-Yuan Li	12	166	2	4
825	Marcia O Fenley	4	166	2	3
825	Benoît Ît Champagne	6	166	14	16
825	Stephan Reiling	2	166	1	2
829	Robert K Szilagyi	5	165	5	8
829	M Michael Gromiha	3	165	9	8
831	Juan I Rodríguez	3	164	2	2
831	Jean-Luc Fattebert	1	164	5	4
831	François Gygi	1	164	11	10
831	Pawel M Kozlowski	2	164	13	8
835	Maria Kontoyianni	3	163	1	2
835	Paul Fleurat-Lessard	4	163	6	4
837	Karsten Krogh-Jespersen	5	162	2	2
837	Marcus Lundberg	4	162	3	5
837	Ulrike Salzner	3	162	6	9
837	Tomoo Miyahara	3	162	2	1
837	Kenneth Ruud	6	162	10	18
837	Kelin Xia	5	162	3	3
843	Eamonn F Healy	3	161	5	4
843	David W Ritchie	1	161	6	6
843	Peter L Cummins	5	161	1	1
846	Hsin-Tsung Chen	4	160	9	4
846	Thomas E Exner	2	160	6	6
846	Fausto Cargnoni	1	160	11	3
846	Luca Bertini	1	160	15	5
850	Wolfgang Wenzel	8	159	8	15
850	Roberto A Boto	2	159	1	2
852	Ryoichi Fukuda	9	158	2	3
852	Zdzisław Xl;law Latajka	5	158	5	6
854	Hao Lin	1	157	37	22
854	Rong-Zhen Liao	3	157	9	7
854	Bojan Zagrovic	1	157	12	9
857	Wenjian Liu	7	156	3	8
857	Stephan Irle	6	156	13	20
859	Piero Ugliengo	2	155	25	20
859	Wei Chen	1	155	2	2
859	Peter Schreiner	5	155	16	26
859	Haruyuki Nakano	5	155	5	6
859	Ilia A Solov'yov	5	155	6	6
864	Leo Lue	2	154	10	6
864	David J Willock	1	154	46	31
864	Haruo Hosoya	5	154	5	5
867	Neeraj Sharma	1	153	1	1
867	Wenlan Liu	4	153	1	3
869	Daiqian Xie	10	152	5	9
869	Jianhan Chen	8	152	1	9
869	Mihaly Mezei	5	152	6	6
872	Oleg Borodin	3	151	21	35
872	William A Goddard	4	151	30	57
874	Bart M H Bruininks	1	150	1	2
874	Francesc Viñes	4	150	9	19
874	Joanna Trylska	4	150	6	4
874	Efthimios Kaxiras	1	150	38	26
874	Pin-Chia Hsu	1	150	3	1
874	Àngels González-Lafont	11	150	4	6
880	Benedict Leimkuhler	1	149	6	2
880	Juan Jesús Pérez	5	149	8	4
880	Andrzej Rzepiela	1	149	3	4
880	Andrea Lombardi	3	149	8	5
880	Fernando Pirani	4	149	16	14
880	Christoph Loschen	2	149	1	2
880	Nicolae Goga	1	149	1	1
887	Chung F Wong	6	148	2	3
887	Angelika Baranowska-Łączkowska	6	148	1	1
887	Makoto Taiji	4	148	3	6
887	Dmitry Zuev	2	148	2	3
891	Rafael Islas	3	147	2	7
891	Leonid Gorb	7	147	5	10
891	Palii Andrew	4	147	10	7
891	Andrea Cavalli	5	147	10	29
891	Sergio F Sousa	4	147	5	4
891	Shigenori Tanaka	4	147	7	7
891	Andreas Windemuth	1	147	9	9
891	Andrey V Solov'yov	4	147	7	8
899	Shoji Takada	2	146	14	10
899	Yi-Gui Wang	4	146	2	1
899	Hai-Bo Yu	4	146	2	10
899	Jose Elguero	3	146	57	47
899	Miquel Torrent-Sucarrat	3	146	5	7
904	Mirosław Jabłoński	8	145	2	2
904	Martin Kleinschmidt	1	145	6	2
906	Xavier Rozanska	2	144	4	6
906	Chang-Guo Zhan	5	144	14	17
906	Kathleen A Durkin	3	144	4	6
906	Dongwook Kim	1	144	17	7
906	Jian Wan	6	144	2	3
911	Ani Anciaux-Sedrakian	1	143	2	1
911	Gustavo E Scuseria	3	143	14	20
913	Pär Söderhjelm	5	142	4	6
913	Farnaz Heidar-Zadeh	3	142	3	2
915	Ryuhei Harada	8	141	2	1
915	Yu-Yen Ou	3	141	6	5
915	Klaus Ruedenberg	3	141	7	8
918	Gisbert Schneider	9	140	10	34
918	Narutoshi Kamiya	5	140	3	5
918	Carlos Jaime	2	140	11	3
918	Emili Besalu	5	140	2	3
923	Lorenzo Rovigatti	2	139	9	7
923	Waclaw Andrzej Sokalski	8	139	5	7
923	Weihua Zhu	3	139	15	8
923	Young Min Rhee	2	139	14	12
923	Flavio Romano	2	139	6	7
923	Jan Antosiewicz	1	139	16	7
923	Petr Sulc	2	139	3	6
923	Adrian H Elcock	1	139	16	12
931	Masahiro Kinoshita	6	138	5	6
931	Hongjun Xiang	1	138	26	15
931	Myung-Hwan Whangbo	1	138	38	20
931	Marco De La Pierre	3	138	4	4
931	Lin Ming-chang	2	138	16	12
936	Koichi Tamura	2	137	1	1
936	Guillermin Agüero-Chapin	2	137	3	1
936	Maria Natália Dias Soeiro Cordeiro	4	137	18	14
939	David Perahia	6	136	4	9
939	Irene Nobeli	3	136	3	4
939	Max L Berkowitz	1	136	14	13
939	Gilles Ohanessian	2	136	12	6
939	Alexey Savelyev	1	136	5	4
939	Axel Gross	1	136	37	24
945	Arghya Chakavorty	5	135	1	1
946	Assoc Prof Bo Durbeej	4	134	3	4
946	Michio Katouda	6	134	1	2
946	Ryan P Steele	1	134	7	5
946	Robert A Distasio Jr	1	134	14	15
946	Roy L. Johnston	4	134	12	22
946	Stephane Redon	11	134	1	2
952	Abdul Sattar	1	133	18	6
952	Abdollah Dehzangi	1	133	11	6
952	Abdul Sattar	1	133	16	6
952	Friedhelm Bechstedt	2	133	28	21
952	Alexander V Nemukhin	4	133	15	8
952	Alok Sharma	1	133	22	12
952	Van V Vu	4	133	5	8
952	Son Tung Ngo	4	133	6	5
952	Yasuhiro Matsunaga	1	133	7	2
961	Martin Rahm	2	132	9	5
961	Yun Geng	2	132	14	7
961	Lingpeng Meng	8	132	2	2
961	Sereina Riniker	3	132	10	9
961	Masahiko Hada	11	132	3	7
961	Genyuan Li	4	132	3	4
967	Anne Imberty	2	131	31	36
967	Tomoshi Kameda	1	131	15	3
967	Tsuyoshi Terakawa	1	131	6	6
967	Mark A Murcko	5	131	3	12
967	Saulo A Vazquez	6	131	6	5
967	Chin-Kun Hu	6	131	10	12
967	Gregory K Pierens	1	131	8	3
967	J Ulises Reveles	1	131	4	3
967	Govinda Kc	1	131	1	1
967	Millard H Lambert	3	131	5	13
977	Ahmet Altun	2	130	9	7
977	Alejandro Gaita-Arińo	3	130	6	11
977	José J Baldoví	3	130	5	5
977	Wataru Shinoda	3	130	11	13
977	Juan Cortes	3	130	3	4
977	Hiroki Kaneko	2	130	2	2
977	Prabal K. Maiti	2	130	18	15
977	Werner Reckien	1	130	6	2
977	Hai-Bin Li	1	130	10	6
986	Richard H Henchman	4	129	4	8
986	Peter Güntert	1	129	32	21
986	Hong-Liang Xu	4	129	6	8
986	Shandar Ahmad	2	129	11	5
986	Beate Paulus	5	129	1	2
986	Martin Billeter	1	129	15	8
986	Kurt Wüthrich	1	129	28	22
993	Maurizio Sironi	3	128	4	4
993	Xavier Barril	4	128	3	11
993	Miquel Garcia-Ratés	3	128	1	1
993	Kazuo Kuwata	1	128	13	6
993	Daniel Sindhikara	1	128	4	3
993	Yovani Marrero-Ponce	6	128	6	8
993	Jong-Won Song	9	128	2	2
993	Minoru Sakurai	7	128	2	5

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