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Top Authors (by citations)

#AuthorArticlesCitationsR ARankR CRank
1Geoffrey Hutchison1214,04922
2John J Irwin118,60622
3Marcus D Hanwell56,99311
4Eva Zurek16,643192
5Tingjun Hou704,88222
6Woody Sherman254,22025
7Theresa L Windus34,19443
8Brian K Shoichet84,188139
9Junmei Wang314,13225
10Andreas Bender643,98322
11Rajendra Kumar23,60722
11Rajendra Kumar23,60722
13Alexander Tropsha403,55822
14Alexander D Mackerell213,53674
15Jürgen Bajorath1103,36935
16Robert P Sheridan263,34624
17Jean-louis Reymond303,21642
18Wei Zhou13,19661
18Xue Xu13,196222
18Yan Li13,196172
18Pidong Li13,19652
18Yonghua Wang13,196202
18Ziyin Wu13,196312
18Peng Li13,19631
18Weiyang Tao13,196102
18Chao Huang13,19672
18Zihu Guo13,196102
28Youyong Li243,18973
29Thierry Langer243,09152
30Ola Engkvist382,82622
31Jun Li12,757359
32Christoph Steinbeck332,61222
33Matthias Rarey672,61126
34Stefano Forli92,58842
35Renxiao Wang212,58222
36Gerhard Wolber152,37882
37Diogo Santos-martins32,33851
38Denis Fourches202,32722
39Peter Ertl202,30424
40Eugene N Muratov212,20222
41Alexandre Varnek432,14632
42Connor W Coley202,13722
43Andreas F Tillack22,113101
44Wei Wang12,11222
45Antony J Williams232,05262
46Paola Gramatica72,04672
47David Ryan Koes121,97622
48Jocelyn Sunseri61,89522
49Paul C D Hawkins51,89422
50Johannes Kirchmair281,88622
51Evan E Bolton231,82123
52Dongsheng Cao261,80833
53Igor V Tetko221,77727
54E Prabhu Raman71,72922
55Didier Rognan201,71523
56Klavs F Jensen91,6911814
57Sereina Riniker281,68223
58Yun Tang361,66723
59Kamel Mansouri81,66321
60Roberto Todeschini91,59145
61Yan Li121,53222
62James J Hickman11,529182
62Aditya R Kolli11,52981
62Michael L Shuler11,529249
62Hasan Erbil Abaci11,529112
66Gilles Marcou301,52332
67Weihua Li311,51633
68Gregory A Landrum181,48822
69Tiejun Cheng91,47912
70Egon Willighagen271,46723
71Zhihai Liu61,46122
72Regina Barzilay41,44922
73Oliver Korb91,42722
74Vladimir Svetnik51,42444
75Doaa Altarawy11,41551
75Benjamin P Pritchard11,41511
77Feixiong Cheng121,40554
78Rajarshi Guha201,38122
79Peter Willett271,37749
80José L Medina-franco261,37154
81Gregory L Warren11,35424
82Janna Hastings101,33612
83Thomas E Exner81,33522
84Richard S Judson61,3291111
85Feixiong Cheng111,32655
86David S Wishart61,3192015
87Guo-wei Wei241,31724
88Cristina S J Rocha161,28923
89Thomas Sander41,26622
90Tommi Jaakkola21,25923
91William H Green141,25883
92Russell Greiner41,25283
93Modest Von Korff21,24511
94Gianni De Fabritiis171,23622
95Yannick Djoumbou-feunang31,23312
96Jeremy Jenkins101,23033
97Junhua Luo11,218234
98Jie Dong91,21622
99Gabriele Cruciani131,18844
99Agnes L Karmaus31,18851
101Luhua Lai141,17444
102Ansgar Schuffenhauer111,16422
103Thomas Stützle31,15962
104Artem Cherkasov161,14544
105Xun Li41,14332
106John B O Mitchell141,11732
107Thomas Blaschke41,11383
107Thomas Blaschke41,11312
109Emma L Schymanski71,11166
110Holger Gohlke271,08639
111Peter Murray-rust211,07922
112Kyle Swanson21,07114
113Jianfeng Pei121,06823
114Károly Héberger61,06682
115Dávid Bajusz71,06532
116Gerard J P Van Westen261,05422
117Ola Spjuth251,04822
117Valerie J Gillet251,04824
119Hongming Chen81,03422
120Anita Rácz51,02622
121Lewis Mervin181,01923
122Nathan Brown131,01522
123Miriam Mathea41,01011
124Viviana Consonni81,00646
125Adriaan P Ijzerman201,00576
126Gisbert Schneider199951015
127Grace Patlewicz2991146
128Igor V Pletnev497532
129Heather A Carlson1996322
129Darrin M York796362
129Tai-sung Lee796322
132Daniel Probst795822
133David A Winkler995662
134Hao Zhu5955124
135Ann M Richard393999
136Davide Ballabio893054
137Steffen Neumann3926109
138Dimitris K Agrafiotis1791122
138Jacob D Durrant1691123
140José Jiménez-luna690122
141Gerard Martínez-rosell590022
142Guo-wei Wei789792
143Andrea Volkamer1788922
144Leonid Chepelev187821
144Eoin Fahy187874
146Pierre Baldi21877518
147Kenneth M Merz3587127
148Esben Jannik Bjerrum1086822
149Matthew Ragoza285822
150Christoph Ruttkies285522
151Miha Skalic385111
152Dragos Horvath2684822
153Christopher M Grulke284731
154Markus Meringer584222
155Bryce K Allen383722
156Massimo Baroni1082822
157Zoe Cournia1981822
158Andrew D Mceachran281041
159Klaus R Liedl2979422
160Timothy J Giese579122
161Ester Papa3789172
162Ulf Norinder1978325
163Tatsuya Takagi477492
164Yuemin Bian1677322
165Norihito Kawashita276872
165Hirotomo Moriwaki276811
165Carlos J Camacho2768186
168Gerta Rücker2765146
169Martin Stahl676234
170Igor I Baskin876085
171Daniela Schuster14758510
172Fu Lin675722
173Gerrit Schüürmann87491510
174Vincent Zoete774896
175John F Wambaugh1743235
175Imran Shah1743114
177Stephen Barlow17424211
178Isidro Cortés-ciriano1674128
179Yu-shi Tian174051
180Huiyong Sun1873823
181Nina Jeliazkova1573222
182Marcus Olivecrona172823
183Jonathan Golledge1724442
183Juliane Hollender17244612
185John W Mayfield372111
186Rui Wang671722
187Klaus-robert Müller67141820
188Herman Van Vlijmen1871324
189Jun Xu1870332
190Marc C Nicklaus1770257
191Ralph Kühne769894
191Sean Ekins2169878
193Friedrich Rippmann868811
194S Joshua Swamidass1668225
195John Z H Zhang1667722
196Henry Rzepa1667633
197Damjan Krstajic367511
198Weiliang Zhu1667334
199Josep Arús-pous566922
200Nicolas Moitessier1666633
201Guixia Liu2466535
202Jacqueline M Cole1766147
202Yifei Qi1766133
204Yuedong Yang1865158
205Gary Tresadern1464733
205Hai-feng Chen1864732
207Jonathan Alvarsson1164511
208Jonathan M Goodman1564465
209Yong Xu164341
210Antoine Daina264233
211Sunho Jeong16403411
212Knut Baumann863572
213Christian Tyrchan1063432
214Patrícia Poeta1633353
215Vele Tesevic1622323
216Obdulia Rabal1061932
217Christian Kramer1761122
218Rommie E Amaro22609210
218Pierre Baldi360925
220Jonathan W Essex1560533
220David S Palmer960522
222Alex M Clark1460422
222Shaomeng Wang66041418
224David C Thompson460211
225Stefano Moro14598911
226Maria Sorokina459711
227György M Keser15594710
228Simone Sciabola759332
229Gerhard Klebe125891015
230Defang Ouyang3584102
231Sunghwan Kim1358223
231Mahendra Awale1358222
233Zhijian Xu1258142
234Tudor I Oprea14574717
235Seongok Ryu457322
236Peng Zhou556462
237Adrian E Roitberg556336
238Jiahui Chen255844
238Samo Turk655854
240Wonpil Im16557712
240Woo Youn Kim555736
240Van V Vu855722
243Eric J Martin1755424
244Jaechang Lim355222
245Florian Flachsenberg954611
245Johann Gasteiger954646
247Andrea Cavalli17542510
247Zhi-gang Chen15425621
249Daniel Kuhn253855
250Florian Nigsch853522
250Charles Lin253511
250David A Case35351922
253Pavel Polishchuk853422
254Jaroslav Koča12531412
255Simone Fulle452822
256João Aires-de-sousa1052623
257Son Tung Ngo652032
257Zengrui Wu1452022
259Sathesh Bhat551821
260Minyi Su451422
261Anna Gaulton6511310
262Richard D Smith75093638
263Mark Mackey450622
264Kunal Roy45023616
265Yan Xu1501344
266Ray Luo1049945
266Samuel Genheden1149923
268Oliver Fiehn74961024
269Orazio Nicolotti1349456
270Sabrina Jaeger249111
271Marwin Segler449026
271Chris Oostenbrink2049036
273Karina Martinez-mayorga548742
274Lars Carlsson748611
274Tobias Kind6486312
276Youjun Xu348322
277Todd M Martin348144
277Nikolay V Dokholyan104811315
279Chao Shen748033
280George Papadatos747923
281Michael H Abraham74761612
282Jiansong Fang647422
283Domenico Alberga1247344
284Bin Wang1471207
284Jingwen Chen14714915
286Stephen D Pickett1247026
287Traian Sulea546833
288Eszter Hazai146611
289Shuangjia Zheng1046424
290Krister Wennerberg34631815
291Yadi Zhou546024
292Fredrik Svensson1345922
293Andrew R Leach8457415
294Uko Maran1345624
295Julen Oyarzabal845554
296Zhiyong Lu3454139
297Alain C Vaucher245342
298Yurii S Moroz3450109
298Coen De Graaf1450105
298Núria López14504318
301Chao-yie Yang544964
302Giovanni Bottegoni744844
302Jérôme Hert444846
304Masaaki Kotera844745
305Anders Wallqvist1444647
306Yoshihiro Yamanishi1244545
307Bernd Kuhn344446
308Sheng-you Huang1444329
308Kohulan Rajan844322
310Emilio Benfenati114421920
311Eelke B Lenselink744122
311Yang Zhang74411316
311Honglin Li744175
311Guixia Liu444132
315Christopher R Corbeil644022
316Gianluca Pollastri1435197
317Christina De Bruyn Kops643311
318Christos A Nicolaou643222
319Timothy Clark2343139
319Nicole C Kleinstreuer543178
321Supratik Kar2421225
322Huixiao Hong74201116
323Olli T Pentikäinen841953
323Yu Du341922
325Kirk E Hevener2418124
326Ye Hu1241723
327Andrzej J Bojarski15415108
328Vishwesh Venkatraman941426
329Toni Giorgino441348
330Maciej Haranczyk6412712
330Humbert González-díaz13412710
330Thomas Scior341232
333Louisa J Bellis341122
333Jason C Cole15411314
335Sebastian Böcker34101210
335Amol Thakkar241022
337Mark J Williamson740922
338Andre O Falcao640722
339Loriano Storchi240572
339Paul G Francoeur440521
341Emilio Xavier Esposito640411
342Sepp Hochreiter640357
342Simon Viet Johansson240322
342Matthew Clark640322
345Frank M Boeckler1040255
345Daniel Cappel640222
347Jonathan D Tyzack540022
348David Sehnal539932
348Duc Duy Nguyen439932
350Richard E Lee13984013
350Atanas Patronov439811
352Matthew P Jacobson63961620
352Mikko J Vainio439611
354Michelle L Coote33951612
355Thomas Fox839423
356Kelly L Damm-ganamet539311
357Günter Klambauer739126
358Ugo Montanari539023
359Philip C Biggin738988
360Stefan Kuhn438874
360Robert Leaman238854
362Chris De Graaf11387610
362Julian E Fuchs938744
364Bharath Ramsundar238622
365Nadine Schneider638422
365Zhenming Liu838422
365Kimito Funatsu13384109
368Vladimir Poroikov113831016
369Gennady M Verkhivker1538269
370James C Gumbart33811411
370Anne Hersey338145
372Liangren Zhang837954
372Charlotte M Deane12379811
374Wenbo Yu537823
374Brian K Radak337811
374Steffen Renner637833
377Adam C Mater237711
377Yuting Xu337721
379Dan Li837644
380Serdar Durdagi1237578
381Martin Krallinger337399
381Hao Liu937322
383Peter Gedeck1037224
384Karina Cuanalo-contreras137172
385Qiong Gu1137085
385Xiaofeng Liu337033
385Mingyue Zheng12370911
388Zhenxing Wu436921
388Matthew Segall636911
388Miguel Vazquez236955
388Alfonso Valencia23691919
392Martin Vogt1036634
393Dmitry A Filimonov1036568
394Xiaomin Luo10362813
394Rocco De Nicola536212
396Manuel Pastor835949
396Alexey V Zakharov935922
398Jae Hee Cheon1357215
398Garrett M Morris8357513
400Jeffrey Skolnick735679
400Stephen J Capuzzi535622
402Dejun Jiang635422
403Francesca Grisoni635249
403Lin Frank Song535222
403Daniel Svozil1135225
406Minh Quan Pham335172
407John Z H Zhang935055
408Janez Konc1634922
409Matthieu Montes834823
409Zlem Tastan Bishop834852
409Matthew Clark634823
412Adriano D Andricopulo834778
413Alex Zhavoronkov4346812
414Rocío Mercado534522
414Herbert Waldmann23452717
414Gerhard F Ecker103451215
417Shuangye Yin534425
418Yibo Li434322
419Tiziano Tuccinardi1134287
419Jian Zhang6342107
419Christophe Chipot1434225
422Kaori Fukuzawa834033
422Michal Otyepka43402316
422David Hoksza434053
425Ken A Brameld133974
426Esther Kellenberger733846
427David A Pearlman2336134
427Trung Hai Nguyen333632
429Paul A Thiessen633522
430Jing Tang13331810
430Tero Aittokallio13334615
430Jie Shen233322
430David C Duffy1333136
430Manuel Rueda433322
435Irina D Pogozheva733255
435Andrei L Lomize733217
435Weida Tong43321212
435Dušanka Janeži1133229
439Jonathan E Allen8331311
439Alán Aspuru-guzik53311827
441Yan A Ivanenkov2327119
441Alessandro Sangion1327113
443Paul Czodrowski632535
444Thibault Charpentier13242710
444David S Cerutti132442
444Zhihui Bai13243015
444Kirill Okhotnikov132482
444Francis Atkinson332412
449Chris T Evelo43232314
449John P Overington63231024
449Lukáš Pravda232343
452Ya Chen532211
452Marcelo A Marti1132249
454Karel Berka432174
455Alexey A Lagunin73201012
456Thanyada Rungrotmongkol931955
456Andreas Jahn831911
458György G Ferenczy731845
458Beining Chen731844
460Julio Caballero13317712
461Zhiwei Feng931622
461Jonas Boström731648
461Antti Poso1231697
464Reda Alhajj2314201
464U Deva Priyakumar631443
464Markus A Lill1531428
464Mireille Krier331431
468Pengfei Li431222
468Maurizio Botta831297
470Wolfgang Sippl93111015
470M Natália D S Cordeiro113111211
472Rocco Meli331011
473Michael K Gilson33081620
473Alberto Gil-de-la-fuente230821
473Ricardo L Mancera5308117
473Peter J Bond43081014
477Nils-ole Friedrich530711
478Ulf Ryde43061617
478Tjelvar S G Olsson630612
478Krzysztof Rataj630612
481Maria J Ramos83051817
481Kam Y J Zhang10305710
481Thomas E Cheatham730567
481Cid B De Araújo13052312
481Yunxiang Lu1305155
486Jonathan D Hirst1330439
486Walter Rocchia530424
488Yufeng Jane Tseng1330322
489Jörg Kurt Wegner630222
489Russ B Altman43021211
491Miquel Rojas-chert130011
491Tomáš Pluskal13002011
491Gilleain Torrance130011
494Ernesto Raul Caffarena2298112
494Yong-huan Yun2298105
494Adrian G Turjanski929822
497Tatsuya Akutsu7297135
497Thérèse E Malliavin829727
499Radoslav Krivák229611
500Jarlei Fiamoncini1295171
500Claudine Manach12951812
502Nikolaus Stiefl929422
503Dario Greco22932511
503Christopher N Rowley529322
505Michal Brylinski529245
506Pak Kin Wong9291411
506Sirish Kaushik Lakkaraju729122
508Simona Distinto428968
509Flemming Steen Jørgensen828834
509William E Acree72881614
511Wensheng Cai1528633
511Lingle Wang828624
513Jordi Teixid728552
513Jianzhong Chen328593
513Jack Harrowfield2285115
516Stewart B Kirton328422
516Colin A Grambow228422
516Kai Dührkop2284108
519Pavel Ban228375
520Mehmet Aziz Yirik328211
520Dino Di Carlo52821825
522Eva Nittinger928123
522Hongyi Zhou528143
524Qing Yang1280278
525Shao Liu327962
526Benjamin Sanchez-lengeling127822
526Arip Asadulaev127814
526Evgeny Putin127844
526Vladimir Aladinskiy127822
526Jordi Mestres8278612
531Peter Man-un Ung327754
532Vedrin Jeliazkov327622
532Kostas Papadopoulos327611
534Vânia M Moreira1275122
534Roberto Tagliaferri1275134
534Ziwei Dai1275129
534Francesco Napolitano127541
534Juha Kere12758134
534Mauro D’amato12752615
540Christofer S Tautermann727443
541Hiroshi Tsugawa32731113
542Lei Xie427256
542Seokho Kang727211
542Mahesh Narayan227295
542Chang-guo Zhan72721010
542Adriano Martinelli927277
547Tyler Luchko227021
547Zhihong Liu927011
547David Van Der Spoel8270517
547Arthur J Olson42701020
551Ijen Chen226978
551Yuji Mochizuki426974
551Mohammad Mehdi Ommati1269102
551Yo Joong Choe126911
555Ruifeng Liu926822
555Milan Randi826868
557Adrian J Mulholland14267514
558Jian Wu126661
558Yingkai Zhang1126626
560Trent E Balius326547
560Pham Cam Nam1265102
560Jean-paul Ebejer526522
560Mai Van Bay126532
564Niu Huang1026438
565Martin Ester126331
565Joel S Freundlich626354
565Peter Merseburger126311
565Fergus Imrie326322
565Berend Smit32632324
570Rino Ragno1226259
571Kamil Paduszyński226177
572S Cenk Sahinalp22601717
572Thomas Gaillard126051
574Jonathan H Chen325934
574G Narahari Sastry5259149
576Andrew T Mcnutt225811
576Ly Le625822
576Dima Kozakov625847
576Sandor Vajda8258821
580Eric W Bell225732
580Madushanka Manathunga325722
580Andreas W Götz325743
583Khaled M Elokely325662
583Xuben Hou625677
583Chloé-agathe Azencott325633
586Peter W Kenny42541010
586Tailong Lei325411
588Sergio Pantano525376
588Chuipu Cai325324
588Matthew K Matlock425323
591Amar S Basu225265
592Anthony R Bradley225111
592Laurianne David125111
592Leming Shi12513920
592Alfonso T García-sosa625122
592Paulette A Greenidge225111
592Kai Sommer525111
592Giuseppe Felice Mangiatordi725147
599Robert D Clark8250511
599Andrej Sali42502526
601Anna Vulpetti524846
601Mohamed Diwan M Abdulhameed624821
603M Paul Gleeson424797
603Hsu-chun Tsai324711
603Christian Margreitter324722
603Fabrizio Manetti924788
603Felice C Lightstone324765
608Mai Suan Li5245108
608Stefano Alcaro9245715
610Xueguang Shao14244911
610Feng Ding13244522
612Ronan Bureau1424327
612Robert N Jorissen1243108
612Yoshifumi Fukunishi1224322
612Antonella Ciancetta624344
612Manfred Broy424311
617Huafeng Xu324149
617Paul Harten124111
617Nico P E Vermeulen6241911
620Yaxia Yuan424065
620Pengfei Li224011
620Wen Torng124032
620Alfonso Valencia32403235
620Matteo Aldeghi424028
620Robert C Rizzo3240811
626Minoru Kanehisa52391327
627Changge Ji923822
627G Andrés Cisneros623852
627Hiromasa Kaneko1023855
627Alexey V Onufriev22381511
631Vladimir B Bajic52371629
631Hwangseo Park923766
631Alessandra Magistrato1223734
631Robert J Doerksen3237147
631Vinícius Wilian D Cruzeiro223722
636Jaroslaw Polanski7236119
636Ruben Abagyan82361024
636Micholas Dean Smith223664
636Amedeo Caflisch9236918
636Bj Bongers223611
641Jean-philippe Vert22351518
641Michael J Keiser4235411
641Habibah A Wahab1923523
644Andreas Klamt7234615
644D Frank Hsu223431
644Richard Tzong-han Tsai323447
644Francisco M Couto523463
644Chanin Nantasenamat3234147
644Michael Fernandez523424
644Leighton Coates4234107
644Andreas H Göller723424
652Liliane Mouawad323386
653Yujun Tao223211
653Michael L Drummond223222
653Jiří Vondrášek7232610
656Samy O Meroueh523164
656Matías R Machado223122
656George Karypis6231512
659Maurizio Recanatini10230810
659Hans Matter623067
659Xiao Li423022
659Jinn-moon Yang22301713
659Wojtek Kowalczyk123011
659Xiaoqin Zou6230510
659Jun Huan223064
666Haochuan Chen622922
666Haiyang Zhang922922
666Mutasem O Taha52291410
666Jian Zhang322922
670Sergei Yu Noskov6228610
670Andre Lamurias422831
670Hong-jie Dai222877
673Peng Yang422777
673Domenico Gadaleta422723
673Elizabeth Yuriev622744
676Julian Tirado-rives7226811
676Agnes Meyder522612
676William Jorgensen7226917
676Prabha Garg3226112
676Xiaohua Zhang322632
681Martin ŠíCho522511
682Anita R Maguire1224197
682Zhixiong Zhao322425
682Buzhou Tang322453
685Bruce S Kristal122341
685Francesco Ortuso722377
685Dong Song222371
685Andrius Merkys422325
685Saulius Gražulis42231110
685Rafał Kurczab722363
685Yaoqi Zhou62231923
692Shiji Zhao222222
692Jake B Bailey122266
692Carlos Simmerling3222811
692Xia Wang222243
692Aixia Yan822273
697Anil K Saxena822177
697Gerard J Kleywegt22211813
697Panagiotis-christos Kotsias122111
697Magbubah Essack422173
697Alice Capecchi322123
702Pedro J Ballester3220815
702Tamer N Jarada122031
702Carolina Horta Andrade622047
702Maciej Koutny722041
706Philip E Bourne42191823
707Jochen Sieg221811
707Samuel Lampa421811
707Debsindhu Bhowmik321843
707Simon Cross421811
711Urszula Domańska12171812
711Antonia S J S Mey721722
711Hugo Guterres521711
711Giuseppe Lippi82172733
711Agnieszka Wojtuch321711
711Anastasia V Rudik621727
711Peter J Tonge22171613
711Linda J Broadbelt22173128
719Samo Lešnik1121622
719A Patrícia Bento121634
721Thomas Bäck321577
721Andrzej Tarlecki321511
721Andrey Kovalevsky32151512
724Matthew Tudor321422
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