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Molecular Simulation
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1.9
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3.8K
(top 5%)
papers
53.5K
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79
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4.0K
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55.8K
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149
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Top Authors (by citations)
#
Author
Articles
Citations
R ARank
R CRank
1
David Dubbeldam
12
2,134
2
1
2
Randall Q Snurr
9
2,071
10
8
3
Julian D Gale
8
2,056
9
3
4
Andrew L Rohl
5
1,967
6
1
5
Sofia Calero
5
1,464
11
2
7
Lev Sarkisov
3
602
5
2
8
Keith E Gubbins
16
594
4
7
9
C Richard A Catlow
15
569
12
24
10
Nick Quirke
20
502
2
6
11
Thijs J H Vlugt
14
486
6
7
12
Anne Boutin
16
435
2
8
13
Wataru Shinoda
2
431
15
5
14
Jiří Kolafa
8
423
2
2
15
Masaki Akaogi
1
413
17
5
16
Athanassios Panagiotopoulos
3
400
15
13
17
Kunal Roy
13
380
5
10
18
Ariana Torres-Knoop
3
362
2
1
19
J Karl Johnson
6
359
8
12
20
Alain H Fuchs
11
358
2
8
21
Struan H Robertson
2
352
5
3
22
Krista S Walton
2
335
13
14
23
Joseph N. Grima
6
327
2
9
24
Wilfred F Van Gunsteren
8
302
10
17
25
Pieter F W Stouten
3
292
3
2
26
Philippe M Ungerer
6
276
3
5
27
Chris Sander
1
271
46
44
28
Achintya Saha
2
268
16
1
28
Indrani Mitra
2
268
2
5
30
Irene Yarovsky
7
261
5
7
31
Othon Moultos
3
255
7
4
32
Nikolay Balabaev
2
252
13
2
33
Jayant K Singh
7
244
3
5
34
Stephen C Parker
14
235
2
18
35
Marcus G Martin
1
230
4
3
36
Martin Lisal
10
227
4
5
37
Alberto Striolo
6
224
6
8
38
Yuko Okamoto
19
222
4
9
39
Daan Frenkel
5
213
17
26
40
B Montgomery Pettitt
6
200
6
10
41
Ilian T Todorov
6
196
1
3
42
William R Smith
3
191
9
7
43
Suresh Bhatia
7
188
11
13
44
Malcolm E Davis
1
187
5
5
44
Ioannis Economou
3
187
15
14
46
J Andrew Mccammon
4
185
15
31
47
Jadran Vrabec
6
179
8
10
47
Peter T Cummings
16
179
7
19
49
Johann Fischer
6
177
4
6
50
Duong Do
17
176
4
11
51
Jerome Delhommelle
21
174
2
4
52
Emeric M Bourasseau
6
173
1
3
53
David Heyes
14
168
3
6
53
Mihaly Mezei
8
168
3
5
55
Gerald R Kneller
5
163
2
4
56
Jason M Reese
4
162
9
10
57
John R Kitchin
6
158
5
16
57
Hans Hasse
5
158
17
20
59
Billy D Todd
6
157
4
4
60
Leena Sinha
2
156
5
3
60
Onkar Prasad
2
156
4
2
62
Clare McCabe
3
153
9
12
62
Ivo Nezbeda
9
153
3
6
64
J Ilja Siepmann
2
151
20
20
65
Jeremy Walton
1
149
6
7
66
Matthew K Borg
4
148
4
3
68
Elvira Guardia
5
146
5
7
69
Bernard Rousseau
6
143
2
4
70
Eric F Darve
2
139
10
6
70
Yinglong Miao
1
139
17
8
72
Tuan Ho
2
136
4
4
72
Nigel A Marks
4
136
8
8
72
Tuan A Ho
2
136
2
2
75
Richard L Anderson
2
135
3
1
75
Michael A Seaton
3
135
1
2
75
Doros N Theodorou
5
135
8
10
78
Guofeng Wang
2
134
17
23
78
Erich A Müller
5
134
7
12
78
David Nicholson
15
134
2
5
81
Peter Daivis
3
131
4
4
82
Ioannis Nikolaos Tsimpanogiannis
1
130
9
6
82
George Opletal
3
130
4
4
82
Christoffer Heath Turner
2
130
10
7
82
Luís F M Franco
1
130
7
1
82
Máté Erdős
1
130
3
1
89
Philippe H Hünenberger
6
127
5
10
90
Junko Habasaki
4
126
6
5
90
Martin Thomas Horsch
2
126
7
4
92
Sebastian Metz
1
123
3
2
93
Yan Su
3
122
4
10
93
Roger Cracknell
6
122
3
9
95
Patricia A Hunt
1
121
8
10
95
Jianwen Jiang
8
121
8
29
97
Brian H Morrow
2
120
4
1
98
Amit Kumar
1
119
185
63
98
Amit Rai Dixit
1
119
18
12
98
Sanket A Deshmukh
2
119
4
4
98
Amit Kumar
1
119
3
3
98
Vladimir V Stegailov
2
119
14
4
98
Kamal Sharma
1
119
6
4
104
Timothy C Petersen
2
118
6
2
105
Timo Jacob
1
117
27
10
105
Seung Soon Jang
1
117
34
13
105
Mario Blanco
1
117
9
8
105
Marianna Yiannourakou
2
117
3
4
109
Sandeep Patel
1
116
8
6
109
Charles L Brooks
1
116
29
29
109
Brendan J O'malley
1
116
3
4
109
Dougal G Mcculloch
1
116
32
15
109
Charles L Brooks Iii
1
116
12
12
114
Seyed Hossein Jamali
3
115
2
2
114
Upendra Natarajan
9
115
1
3
116
Sadanandam Namsani
1
114
2
2
117
Kwong-Yu Chan
7
113
4
18
118
Lukas D Schuler
1
111
4
3
118
Becky L Eggimann
1
111
1
1
118
Nora De Leeuw
8
111
9
26
121
Mauro Ferrario
3
110
8
6
121
Si Zhou
4
110
31
48
121
Jijun Zhao
4
110
43
55
124
Jed W Pitera
1
109
5
8
125
Edward J Maginn
2
108
19
28
126
Mehdi Ghambarian
4
107
1
2
126
Mohammad Ghashghaee
4
107
1
2
128
Allan D Mackie
5
106
3
5
128
Hsueh-Chia Chang
2
106
23
30
128
Coray M Colina
4
106
4
10
131
Caroline Desgranges
7
104
2
4
132
Luis F Rull
4
103
5
5
132
Soumil Yogesh Joshi
1
103
1
1
132
Denis J Evans
11
103
5
12
135
Jana Shen
1
102
22
16
135
Hideki Tanaka
9
102
3
13
137
David J Keffer
10
99
3
5
138
Sohail Murad
7
98
3
7
138
Arthi Jayaraman
5
98
5
10
138
Edo S Boek
4
98
4
12
141
Ya-Qin Zhang
3
97
29
48
141
Xiaomin Liu
3
97
6
12
143
Martin Neumann
2
96
8
6
143
Said Hamad
3
96
5
9
143
David S Sholl
2
96
20
33
143
Xin Wu
7
96
1
1
147
Stanisław Lamperski
4
94
4
3
148
Robert J Woods
1
93
19
21
148
Miguel Jorge
3
93
4
6
148
Mari L Demarco
1
93
12
6
148
Matthew B Tessier
1
93
1
1
152
Ahmadreza Rahbari
4
92
1
1
153
José R B Gomes
2
91
23
25
153
Aziz Ghoufi
7
91
4
19
155
Alan K Soper
1
90
14
16
156
Qiang Cui
1
89
25
20
156
Victor Ovchinnikov
1
89
4
3
156
Dimitrios Papavassiliou
2
89
14
13
156
Rafiqul A Tarefder
1
89
13
4
156
Xiya Lu
1
89
2
3
156
Jielin Pan
1
89
1
1
162
Xiaoxia Li
2
88
3
6
162
Xiaoming Huang
1
88
30
15
162
Xiaoming Huang
1
88
1
1
165
Alper Tunga Celebi
1
87
4
2
165
André Bardow
1
87
36
32
165
Bertrand M Tavitian
2
87
10
19
168
Ottorino Ori
6
86
3
3
168
Murat Barisik
2
86
6
5
168
Reinier L C Akkermans
2
86
1
4
168
Tahir Cagin
1
86
18
19
172
Armand Soldera
6
85
3
10
172
Hao Wang
2
85
14
17
172
Ludwik Adamowicz
5
85
11
16
172
David A Pearlman
1
85
12
15
172
Kurt Kremer
1
85
36
34
177
Alejandro D Rey
4
83
12
12
177
Robert Evans
1
83
14
16
179
Igor V Morozov
1
82
10
2
179
Paul M Zimmerman
1
82
22
18
181
David A Kofke
4
81
8
10
181
Anna C Balazs
2
81
27
26
181
Berend Smit
3
81
27
46
184
Yamil J Colón
2
80
3
11
184
Guangji Xu
1
80
3
2
184
Roland Faller
4
80
11
15
184
Toshikazu Ebisuzaki
3
80
16
15
184
Pedro G Gonnet
2
80
2
4
189
Peng Zhou
1
79
21
15
189
Carlos Nieto-Draghi
3
79
5
10
189
Seda Keskİn
4
79
8
27
189
Jian Huang
1
79
62
54
189
Enrique de Miguel
1
79
9
7
189
Chao Yang
1
79
4
7
189
Jian Huang
1
79
20
16
196
Andrew Ferguson
3
78
8
18
197
George K Papadopoulos
5
77
3
6
197
Joaquim Casulleras
2
77
7
5
197
Dean C Sayle
4
77
8
13
197
Robert Eisenberg
2
77
20
30
197
Frank J Spera
1
77
16
19
197
David Brown
5
77
5
9
197
Randall T Cygan
2
77
10
12
204
Maurizio Fermeglia
5
76
6
27
204
Robert M Stroud
1
76
31
31
206
Michael Fischer
1
75
14
6
206
Graeme W Watson
4
75
12
26
206
Jean-Marc Simon
5
75
5
10
206
Ali Beskok
1
75
16
16
206
Franco Cataldo
2
75
20
18
211
Greg R Birkett
3
74
1
1
211
Anh V Nguyen
3
74
21
28
211
Zhenxing Feng
1
74
28
32
211
Tiffany R Walsh
5
74
7
21
211
Yu ShiChao
3
74
3
2
211
Hong Peng
3
74
10
14
211
Arni Sturluson
1
74
1
1
211
Daniel W Siderius
1
74
11
4
211
Feier
1
74
3
1
211
Christopher E Wilmer
1
74
12
17
211
Yongchul G Chung
1
74
6
11
211
Cory M Simon
1
74
6
11
211
Hong Peng
3
74
4
3
211
Song Hi Lee
14
74
1
3
225
David Price
4
73
11
26
225
Kenji Yasuoka
14
73
2
19
225
Te-Hua Fang
8
73
12
28
225
Niall J English
4
73
12
21
225
Jhih-Wei Chu
2
73
7
10
230
Jens H Walther
1
72
29
21
230
Petros Koumoutsakos
1
72
40
39
230
Sabrina Pricl
4
72
9
33
230
Aatto I Laaksonen
5
72
11
25
230
Tsu-Hsu Yen
4
72
1
1
230
Erik E Santiso
3
72
3
6
230
Richard L Jaffe
1
72
8
11
230
Frank Van Swol
3
72
7
11
238
J P Brodholt
5
71
9
24
238
Alessio Alexiadis
2
71
9
8
238
Simon Stephan
2
71
3
5
238
Sandiop Khan
2
71
3
3
238
Ben Slater
3
71
8
20
243
Dezső Boda
3
70
11
15
243
Xinxing Zhou
2
70
4
4
243
Andrew Hsu
1
70
2
4
246
Volker L Deringer
1
69
26
26
246
Karl P Travis
6
69
2
6
246
Gabriele Cesare Sosso
1
69
9
13
246
Gábor Csányi
1
69
18
27
246
Stephen R Elliott
1
69
17
15
246
Jorge Lopez-Lemus
7
69
2
3
252
Andrew Putnis
2
68
21
34
253
Leo Lue
2
67
10
13
253
Kyle E Hart
2
67
2
6
253
Shabbir Muhammad
2
67
30
28
256
Cynthia J Jameson
3
66
8
11
256
Mikhail M Maslov
2
66
9
5
256
Teodorico C Ramalho
8
66
4
42
256
Martin Dove
9
66
7
28
256
Mahinder Ramdin
3
66
4
7
256
K P Katin
2
66
10
4
262
John H Harding
7
65
9
35
262
Kamil Kuca
7
65
34
83
262
Honglai Liu
11
65
10
33
262
Marcel Swart
1
65
32
25
262
Mark E Tuckerman
1
65
30
32
262
Francisco R Hung
4
65
4
8
262
Xiaoyi He
1
65
6
11
262
Byron Goldstein
1
65
16
15
270
Wenjin Li
1
64
5
3
270
Jeffery A Greathouse
3
64
5
15
270
Fernando A Escobedo
3
64
8
16
270
John A Keith
1
64
16
17
270
Veronique Van Speybroeck
3
64
29
52
275
Rui Qiao
1
63
19
25
275
Kenichiro Koga
4
63
5
8
275
Ping He
1
63
5
1
275
F Javier Luque
2
63
42
45
275
Song Xu
1
63
7
3
275
Zepeng Fan
1
63
5
4
281
Joonseok Koh
1
62
12
13
281
Mukesh Choudhary
1
62
7
4
281
N Scott Bobbitt
1
62
3
5
281
Santosh Kumar
1
62
11
11
281
Khurshid Ayub
1
62
48
36
286
Sarah L Price
3
61
15
30
286
Carlos Avendano
1
61
6
5
286
Alexis T Bell
1
61
65
59
286
Linghong Lu
8
61
1
6
286
Scott M Woodley
2
61
8
16
286
Hendrik Frentrup
1
61
1
1
292
Mark J Biggs
1
60
18
13
292
Patrice Malfreyt
2
60
11
15
292
Anthony Dj Haymet
2
60
14
22
292
Baron Peters
2
60
11
18
296
Peter G Bolhuis
3
59
12
20
296
Makoto Yoneya
2
59
11
15
296
Yoshinori Tamai
4
59
3
5
299
Zahra Azizi
2
58
3
4
299
Athanassios K Stubos
3
58
8
26
299
Jacob R Boes
1
58
4
6
299
Pavel N Vorontsov-Velyaminov
3
58
4
3
299
Hisashi Okumura
6
58
5
12
304
Andriy Kovalenko
3
57
7
17
304
Mai Suan Li
2
57
17
19
304
Nnabuk Eddy
1
57
6
7
304
Hendrik Heinz
2
57
13
31
304
David A Winkler
1
57
45
46
309
Jordi Marti Rabassa
5
56
4
10
309
D W Brenner
3
56
4
11
309
Xiongce Zhao
2
56
4
14
312
Stavros C Kassinos
1
55
14
11
312
Hai Lin
1
55
15
11
312
Remco Hens
2
55
1
2
312
Alexander P Lyubartsev
3
55
13
30
312
Jens Abildskov
3
55
8
10
312
Ian Gordon Dance
2
55
8
10
312
Soroosh Pezeshki
1
55
3
4
319
Aravind Asthagiri
2
54
12
21
319
Saeed Yousefinejad
1
54
18
11
319
Witold Dzwinel
5
54
3
4
319
J-L Autran
6
54
9
11
319
Abooalfazl Azhdarpoor
1
54
9
4
319
shima bahrami
1
54
1
1
319
Maria Natália Dias Soeiro Cordeiro
3
54
27
47
319
Daniela Munteanu
6
54
7
7
319
Linda J Broadbelt
3
54
17
38
319
Ahmad Badeenezhad
1
54
2
4
330
Alan L Chaffee
3
53
12
19
330
Duncan A Lockerby
1
53
16
10
330
Emilio Artacho
4
53
5
22
330
Saman Alavi
2
53
16
21
330
Umberto Marini Bettolo Marconi
1
53
20
17
330
Benoı̂t Roux
2
53
25
41
330
Jordi Faraudo
3
53
10
18
330
Xiaoning Yang
5
53
2
12
330
Daniel Porfirio Luis Jiménez
4
53
1
1
330
Benoit Roux
2
53
24
46
330
Ziming Tan
1
53
1
2
330
Alexander Goldberg
1
53
5
5
342
Cheng-Da Wu
6
52
2
6
342
Małgorzata Śliwińska-Bartkowiak
2
52
14
14
342
Michael J. Ford
4
52
4
31
342
Beena Rai
3
52
6
14
342
Jacek Kitowski
6
52
3
2
342
N Sundaraganesan
6
52
3
6
348
Susan Ls Stipp
2
51
18
29
348
Sondre K Schnell
3
51
1
12
348
Taras Bryk
1
51
17
11
348
Julio Caballero
6
51
5
22
348
Signe Kjelstrup
3
51
25
37
348
Oleg N Kalugin
3
51
6
7
354
Jacob Chih Ching Huang
1
50
43
32
354
Qingyuan Yang
5
50
7
34
354
Alex Hamilton
1
50
24
13
354
Phillip Servio
2
50
10
11
354
Steven R Schofield
1
50
16
11
354
Neil J Curson
1
50
8
6
354
Michelle Y Simmons
1
50
36
26
354
Chongli Zhong
5
50
7
30
354
Shin-Pon Ju
1
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2
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3
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4
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4
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1
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4
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3
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5
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1
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4
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1
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7
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1
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1
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2
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2
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11
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3
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13
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2
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3
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1
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5
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12
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6
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6
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1
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1
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1
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1
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1
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3
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6
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1
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2
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21
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1
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1
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1
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1
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1
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1
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1
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1
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1
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2
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1
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2
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1
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1
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1
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9
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1
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1
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1
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1
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1
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1
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1
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14
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23
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4
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1
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2
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3
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1
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1
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1
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2
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1
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3
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2
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2
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1
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1
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Mohammed Ameri
1
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4
6
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Prasanth Dintakurthi
1
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3
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