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Citations to this article as recorded by CrossRef and RSC Journals (70 citations).

Xiaohui Wang, Xingzhao Tu, John Z. H. Zhang and Zhaoxi Sun
Phys. Chem. Chem. Phys., 2018, 20, 2009
DOI: 10.1039/C7CP07573A

Zhaoxi Sun
Phys. Chem. Chem. Phys., 2019, 21, 21942
DOI: 10.1039/C9CP04113C

Zhao X. Sun, Xiao H. Wang and John Z. H. Zhang
Phys. Chem. Chem. Phys., 2017, 19, 15005
DOI: 10.1039/C7CP01561E

Meiting Wang, Ye Mei and Ulf Ryde
Chem. Sci., 2024, 15, 8786
DOI: 10.1039/D4SC00140K

Kela Xiao and Haibo Yu
Phys. Chem. Chem. Phys., 2016, 18, 30305
DOI: 10.1039/C6CP02526A

Fengyuan Yang, Guoxun Zheng, Tingting Fu, Xiaofeng Li, Gao Tu, Ying Hong Li, Xiaojun Yao, Weiwei Xue and Feng Zhu
Phys. Chem. Chem. Phys., 2018, 20, 23873
DOI: 10.1039/C8CP01843J

Xiaoliang Pan, Pengfei Li, Junming Ho, Jingzhi Pu, Ye Mei and Yihan Shao
Phys. Chem. Chem. Phys., 2019, 21, 20595
DOI: 10.1039/C9CP02593F

Frithjof Godschalk, Samuel Genheden, Pär Söderhjelm and Ulf Ryde
Phys. Chem. Chem. Phys., 2013, 15, 7731
DOI: 10.1039/c3cp00116d

Julien Michel
Phys. Chem. Chem. Phys., 2014, 16, 4465
DOI: 10.1039/C3CP54164A

Johannes Karwounopoulos, Zhiyi Wu, Sara Tkaczyk, Shuzhe Wang, Adam Baskerville, Kavindri Ranasinghe, Thierry Langer, Geoffrey P. F. Wood, Marcus Wieder and Stefan Boresch
J. Phys. Chem. B, 2024, 128, 6693
DOI: 10.1021/acs.jpcb.4c01417

Gerhard König, Frank Pickard, Jing Huang, Walter Thiel, Alexander MacKerell, Bernard Brooks and Darrin York
Molecules, 2018, 23, 2695
DOI: 10.3390/molecules23102695

Xiya Lu, Dong Fang, Shingo Ito, Yuko Okamoto, Victor Ovchinnikov and Qiang Cui
Molecular Simulation, 2016, 42, 1056
DOI: 10.1080/08927022.2015.1132317

Phillip S. Hudson, Justin K. White, Fiona L. Kearns, Milan Hodoscek, Stefan Boresch and H. Lee Woodcock
Biochimica et Biophysica Acta (BBA) - General Subjects, 2015, 1850, 944
DOI: 10.1016/j.bbagen.2014.09.016

Sérgio Filipe Sousa, António J. M. Ribeiro, Rui P. P. Neves, Natércia F. Brás, Nuno M. F. S. A. Cerqueira, Pedro A. Fernandes and Maria João Ramos
WIREs Comput Mol Sci, 2017, 7
DOI: 10.1002/wcms.1281

Fiona Kearns, Luke Warrensford, Stefan Boresch and H. Woodcock
Molecules, 2019, 24, 681
DOI: 10.3390/molecules24040681

Meiting Wang, Ye Mei and Ulf Ryde
J. Chem. Theory Comput., 2019, 15, 2659
DOI: 10.1021/acs.jctc.8b01280

Gerhard König, Frank C. Pickard , Jing Huang, Andrew C. Simmonett, Florentina Tofoleanu, Juyong Lee, Pavlo O. Dral, Samarjeet Prasad, Michael Jones, Yihan Shao, Walter Thiel and Bernard R. Brooks
J Comput Aided Mol Des, 2016, 30, 989
DOI: 10.1007/s10822-016-9936-x

Wonmuk Hwang, Steven L. Austin, Arnaud Blondel, Eric D. Boittier, Stefan Boresch, Matthias Buck, Joshua Buckner, Amedeo Caflisch, Hao-Ting Chang, Xi Cheng, Yeol Kyo Choi, Jhih-Wei Chu, Michael F. Crowley, Qiang Cui, Ana Damjanovic, Yuqing Deng, Mike Devereux, Xinqiang Ding, Michael F. Feig, Jiali Gao, David R. Glowacki, James E. Gonzales, Mehdi Bagerhi Hamaneh, Edward D. Harder, Ryan L. Hayes, Jing Huang, Yandong Huang, Phillip S. Hudson, Wonpil Im, Shahidul M. Islam, Wei Jiang, Michael R. Jones, Silvan Käser, Fiona L. Kearns, Nathan R. Kern, Jeffery B. Klauda, Themis Lazaridis, Jinhyuk Lee, Justin A. Lemkul, Xiaorong Liu, Yun Luo, Alexander D. MacKerell, Dan T. Major, Markus Meuwly, Kwangho Nam, Lennart Nilsson, Victor Ovchinnikov, Emanuele Paci, Soohyung Park, Richard W. Pastor, Amanda R. Pittman, Carol Beth Post, Samarjeet Prasad, Jingzhi Pu, Yifei Qi, Thenmalarchelvi Rathinavelan, Daniel R. Roe, Benoit Roux, Christopher N. Rowley, Jana Shen, Andrew C. Simmonett, Alexander J. Sodt, Kai Töpfer, Meenu Upadhyay, Arjan van der Vaart, Luis Itza Vazquez-Salazar, Richard M. Venable, Luke C. Warrensford, H. Lee Woodcock, Yujin Wu, Charles L. Brooks, Bernard R. Brooks and Martin Karplus
J. Phys. Chem. B, 2024, 128, 9976
DOI: 10.1021/acs.jpcb.4c04100

Gerhard König, Bernard R. Brooks, Walter Thiel and Darrin M. York
Molecular Simulation, 2018, 44, 1062
DOI: 10.1080/08927022.2018.1475741

Junbo Chen, Yihan Shao and Junming Ho
J. Phys. Chem. A, 2019, 123, 5580
DOI: 10.1021/acs.jpca.9b03995

Fernanda Duarte, Beat A. Amrein, David Blaha-Nelson and Shina C.L. Kamerlin
Biochimica et Biophysica Acta (BBA) - General Subjects, 2015, 1850, 954
DOI: 10.1016/j.bbagen.2014.07.008

Alexander J. Sodt, Ye Mei, Gerhard König, Peng Tao, Ryan P. Steele, Bernard R. Brooks and Yihan Shao
J. Phys. Chem. A, 2015, 119, 1511
DOI: 10.1021/jp5072296

Abdul Raafik Arattu Thodika, Xiaoliang Pan, Yihan Shao and Kwangho Nam
J. Chem. Theory Comput., 2025, 21, 817
DOI: 10.1021/acs.jctc.4c01487

Yuchen Yuan and Qiang Cui
J. Chem. Theory Comput., 2023, 19, 5394
DOI: 10.1021/acs.jctc.3c00591

Simone Bonfrate, Nicolas Ferré and Miquel Huix-Rotllant
J. Chem. Inf. Model., 2025, 65, 9196
DOI: 10.1021/acs.jcim.5c01563

Phillip S. Hudson, H. Lee Woodcock and Stefan Boresch
J. Phys. Chem. Lett., 2015, 6, 4850
DOI: 10.1021/acs.jpclett.5b02164

Andreas Schöller, Fiona Kearns, H. Lee Woodcock and Stefan Boresch
J. Phys. Chem. B, 2022, 126, 2798
DOI: 10.1021/acs.jpcb.2c00696

Gerhard König, Phillip S. Hudson, Stefan Boresch and H. Lee Woodcock
J. Chem. Theory Comput., 2014, 10, 1406
DOI: 10.1021/ct401118k

Jia-Ning Wang, Wei Liu, Pengfei Li, Yan Mo, Wenxin Hu, Jun Zheng, Xiaoliang Pan, Yihan Shao and Ye Mei
J. Chem. Theory Comput., 2021, 17, 1318
DOI: 10.1021/acs.jctc.0c01149

Andreas Schöller, H. Lee Woodcock and Stefan Boresch
Molecules, 2023, 28, 4006
DOI: 10.3390/molecules28104006

Zisheng Zhang, Borna Zandkarimi and Anastassia N. Alexandrova
Acc. Chem. Res., 2020, 53, 447
DOI: 10.1021/acs.accounts.9b00531

Gerhard König and Bernard R. Brooks
Biochimica et Biophysica Acta (BBA) - General Subjects, 2015, 1850, 932
DOI: 10.1016/j.bbagen.2014.09.001

Gerhard König, Frank C. Pickard, Ye Mei and Bernard R. Brooks
J Comput Aided Mol Des, 2014, 28, 245
DOI: 10.1007/s10822-014-9708-4

Phillip S. Hudson, Stefan Boresch, David M. Rogers and H. Lee Woodcock
J. Chem. Theory Comput., 2018, 14, 6327
DOI: 10.1021/acs.jctc.8b00517

Phillip S. Hudson, Kyungreem Han, H. Lee Woodcock and Bernard R. Brooks
J Comput Aided Mol Des, 2018, 32, 983
DOI: 10.1007/s10822-018-0165-3

Samuel Genheden, Ulf Ryde and Pär Söderhjelm
J Comput Chem, 2015, 36, 2114
DOI: 10.1002/jcc.24048

Wenxin Hu, Pengfei Li, Jia-Ning Wang, Yuanfei Xue, Yan Mo, Jun Zheng, Xiaoliang Pan, Yihan Shao and Ye Mei
J. Chem. Theory Comput., 2020, 16, 6814
DOI: 10.1021/acs.jctc.0c00794

Xiangyu Jia, Meiting Wang, Yihan Shao, Gerhard König, Bernard R. Brooks, John Z. H. Zhang and Ye Mei
J. Chem. Theory Comput., 2016, 12, 499
DOI: 10.1021/acs.jctc.5b00920

Johannes Karwounopoulos, Mateusz Bieniek, Zhiyi Wu, Adam L. Baskerville, Gerhard König, Benjamin P. Cossins and Geoffrey P. F. Wood
J. Chem. Theory Comput., 2025, 21, 967
DOI: 10.1021/acs.jctc.4c01427

Qiang Cui, Tanmoy Pal and Luke Xie
J. Phys. Chem. B, 2021, 125, 689
DOI: 10.1021/acs.jpcb.0c09898

Shingo Ito and Qiang Cui
The Journal of Chemical Physics, 2020, 153
DOI: 10.1063/5.0012494

Xiaoliang Pan, Richard Van, Evgeny Epifanovsky, Jian Liu, Jingzhi Pu, Kwangho Nam and Yihan Shao
J. Phys. Chem. B, 2022, 126, 4226
DOI: 10.1021/acs.jpcb.2c02262

Ryan Snyder, Bryant Kim, Xiaoliang Pan, Yihan Shao and Jingzhi Pu
The Journal of Chemical Physics, 2023, 159
DOI: 10.1063/5.0156327

Debodyuti Dutta and Sabyashachi Mishra
J. Phys. Chem. B, 2016, 120, 11654
DOI: 10.1021/acs.jpcb.6b07446

Yuanfei Xue, Jia-Ning Wang, Wenxin Hu, Jun Zheng, Yongle Li, Xiaoliang Pan, Yan Mo, Yihan Shao, Lu Wang and Ye Mei
J. Phys. Chem. A, 2021, 125, 10677
DOI: 10.1021/acs.jpca.1c07727

Nitai Sylvetsky
Sci Rep, 2020, 10
DOI: 10.1038/s41598-020-65984-0

Paulius Mikulskis, Daniela Cioloboc, Milica Andrejić, Sakshi Khare, Joakim Brorsson, Samuel Genheden, Ricardo A. Mata, Pär Söderhjelm and Ulf Ryde
J Comput Aided Mol Des, 2014, 28, 375
DOI: 10.1007/s10822-014-9739-x

Pengfei Li, Xiangyu Jia, Xiaoliang Pan, Yihan Shao and Ye Mei
J. Chem. Theory Comput., 2018, 14, 5583
DOI: 10.1021/acs.jctc.8b00571

Nikolay V. Plotnikov
J. Chem. Theory Comput., 2014, 10, 2987
DOI: 10.1021/ct500109m

Tomáš Trnka, Igor Tvaroška and Jaroslav Koča
J. Chem. Theory Comput., 2018, 14, 291
DOI: 10.1021/acs.jctc.7b00870

Ulf Ryde and Pär Söderhjelm
Chem. Rev., 2016, 116, 5520
DOI: 10.1021/acs.chemrev.5b00630

Eric C. Dybeck, Natalie P. Schieber and Michael R. Shirts
J. Chem. Theory Comput., 2016, 12, 3491
DOI: 10.1021/acs.jctc.6b00397

Meiting Wang, Pengfei Li, Xiangyu Jia, Wei Liu, Yihan Shao, Wenxin Hu, Jun Zheng, Bernard R. Brooks and Ye Mei
J. Chem. Inf. Model., 2017, 57, 2476
DOI: 10.1021/acs.jcim.7b00001

Yao-Kun Lei, Kiyoshi Yagi and Yuji Sugita
The Journal of Chemical Physics, 2024, 160
DOI: 10.1063/5.0205123

Shuming Cheng, Shengheng Yan and Binju Wang
J. Chem. Theory Comput., 2025, 21, 8341
DOI: 10.1021/acs.jctc.5c01128

Frank C. Pickard, Gerhard König, Florentina Tofoleanu, Juyong Lee, Andrew C. Simmonett, Yihan Shao, Jay W. Ponder and Bernard R. Brooks
J Comput Aided Mol Des, 2016, 30, 1087
DOI: 10.1007/s10822-016-9955-7

Thomas S. Hofer and Philippe H. Hünenberger
The Journal of Chemical Physics, 2018, 148
DOI: 10.1063/1.5000799

Xiaoliang Pan, Junjie Yang, Richard Van, Evgeny Epifanovsky, Junming Ho, Jing Huang, Jingzhi Pu, Ye Mei, Kwangho Nam and Yihan Shao
J. Chem. Theory Comput., 2021, 17, 5745
DOI: 10.1021/acs.jctc.1c00565

Christoph Brunken and Markus Reiher
J. Chem. Theory Comput., 2020, 16, 1646
DOI: 10.1021/acs.jctc.9b00855

Martin A. Olsson, Pär Söderhjelm and Ulf Ryde
J. Comput. Chem., 2016, 37, 1589
DOI: 10.1002/jcc.24375

Tai-Sung Lee, Bryce K. Allen, Timothy J. Giese, Zhenyu Guo, Pengfei Li, Charles Lin, T. Dwight McGee, David A. Pearlman, Brian K. Radak, Yujun Tao, Hsu-Chun Tsai, Huafeng Xu, Woody Sherman and Darrin M. York
J. Chem. Inf. Model., 2020, 60, 5595
DOI: 10.1021/acs.jcim.0c00613

Gerhard König and Sereina Riniker
Interface Focus, 2020, 10
DOI: 10.1098/rsfs.2019.0121

Stefan Boresch and H. Lee Woodcock
Molecular Physics, 2017, 115, 1200
DOI: 10.1080/00268976.2016.1269960

Lung Wa Chung, W. M. C. Sameera, Romain Ramozzi, Alister J. Page, Miho Hatanaka, Galina P. Petrova, Travis V. Harris, Xin Li, Zhuofeng Ke, Fengyi Liu, Hai-Bei Li, Lina Ding and Keiji Morokuma
Chem. Rev., 2015, 115, 5678
DOI: 10.1021/cr5004419

Timothy J. Giese and Darrin M. York
J. Chem. Theory Comput., 2019, 15, 5543
DOI: 10.1021/acs.jctc.9b00401

Frank C. Pickard, Gerhard König, Andrew C. Simmonett, Yihan Shao and Bernard R. Brooks
Bioorganic & Medicinal Chemistry, 2016, 24, 4988
DOI: 10.1016/j.bmc.2016.08.031

Phillip S. Hudson, H. Lee Woodcock and Stefan Boresch
J. Chem. Theory Comput., 2019, 15, 4632
DOI: 10.1021/acs.jctc.9b00084

Iakov Polyak, Tobias Benighaus, Eliot Boulanger and Walter Thiel
The Journal of Chemical Physics, 2013, 139
DOI: 10.1063/1.4817402

Jerônimo Lameira, Ilya Kupchencko and Arieh Warshel
J. Phys. Chem. B, 2016, 120, 2155
DOI: 10.1021/acs.jpcb.5b11966

Fiona L. Kearns, Phillip S. Hudson, Henry L. Woodcock and Stefan Boresch
J Comput Chem, 2017, 38, 1376
DOI: 10.1002/jcc.24706