
Alexey V. Onufriev
Professor
Departments of Computer Science and Physics
College of Engineering, Virginia Polytechnic Institute and State University/Department of Biomedical Engineering and Mechanics, College of Engineering, Virginia Polytechnic Institute and State University/Department of Computer Science, College of Engineering, Virginia Polytechnic Institute and State University
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基本信息
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Bio
My philosophy is that among the multitude of models of a complex system that one can build, only the very simple, robust solutions may have a chance to represent reality. Complex solutions with tens of fitting parameters may sometimes be of great practical use, but often misrepresent reality (the geocentric model of the Universe is one such example). The same philosophy applies to computational methods we develop: simple, robust solutions are preferred. As with any theoretical work, close contact with experimental groups is essential.
Research Interests
Papers共 171 篇Author StatisticsCo-AuthorSimilar Experts
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bioRxiv the preprint server for biology (2025)
bioRxiv the preprint server for biology (2025)
Rommie E Amaro,Johan Åqvist,Ivet Bahar,Federica Battistini, Adam Bellaiche,Daniel Beltran,Philip C Biggin,Massimiliano Bonomi,Gregory R Bowman,Richard A Bryce,Giovanni Bussi,Paolo Carloni,David A Case,Andrea Cavalli,Chia-En A Chang,Thomas E Cheatham,Margaret S Cheung,Christophe Chipot,Lillian T Chong, Preeti Choudhary,G Andres Cisneros,Cecilia Clementi,Rosana Collepardo-Guevara,Peter Coveney,Roberto Covino,T Daniel Crawford,Matteo Dal Peraro,Bert L de Groot,Lucie Delemotte,Marco De Vivo,Jonathan W Essex,Franca Fraternali,Jiali Gao,Josep Ll Gelpí,Francesco L Gervasio,Fernando D González-Nilo, Helmut Grubmüller, Marina G Guenza,Horacio V Guzman,Sarah Harris,Teresa Head-Gordon,Rigoberto Hernandez,Adam Hospital,Niu Huang,Xuhui Huang,Gerhard Hummer,Javier Iglesias-Fernández,Jan H Jensen,Shantenu Jha,Wanting Jiao,William L Jorgensen,Shina C L Kamerlin,Syma Khalid,Charles Laughton,Michael Levitt,Vittorio Limongelli,Erik Lindahl,Kresten Lindorff-Larsen, Sharon Loverde,Magnus Lundborg, Yun L Luo,F Javier Luque, Charlotte I Lynch,Alexander D MacKerell,Alessandra Magistrato,Siewert J Marrink, Hugh Martin,J Andrew McCammon,Kenneth Merz,Vicent Moliner,Adrian J Mulholland, Sohail Murad,Athi N Naganathan,Shikha Nangia,Frank Noe,Agnes Noy,Julianna Oláh,Megan L O'Mara,Mary Jo Ondrechen,Jose N Onuchic,Alexey Onufriev,Sílvia Osuna,Giulia Palermo,Anna R Panchenko,Sergio Pantano, Carol Parish,Michele Parrinello,Alberto Perez,Tomas Perez-Acle,Juan R Perilla,B Montgomery Pettitt,Adriana Pietropaolo,Jean-Philip Piquemal, Adolfo B Poma,Matej Praprotnik,Maria J Ramos,Pengyu Ren,Nathalie Reuter,Adrian Roitberg,Edina Rosta, Carme Rovira,Benoit Roux,Ursula Rothlisberger,Karissa Y Sanbonmatsu,Tamar Schlick,Alexey K Shaytan,Carlos Simmerling,Jeremy C Smith,Yuji Sugita,Katarzyna Świderek,Makoto Taiji,Peng Tao,D Peter Tieleman,Irina G Tikhonova,Julian Tirado-Rives,Iñaki Tuñón,Marc W van der Kamp,David van der Spoel,Sameer Velankar,Gregory A Voth,Rebecca Wade, Ariel Warshel,Valerie Vaissier Welborn,Stacey D Wetmore,Travis J Wheeler,Chung F Wong,Lee-Wei Yang,Martin Zacharias,Modesto Orozco
Nature methodsno. 4 (2025): 641-645
Alexander Y Afanasyev,Alexey V Onufriev
ACS omegano. 15 (2025): 14816-14825
JOURNAL OF CHEMICAL INFORMATION AND MODELINGno. 24 (2024): 9433-9448
JOURNAL OF CHEMICAL THEORY AND COMPUTATIONno. 19 (2024): 8724-8739
Lewis Bass, Luke H. Elder, Dan E. Folescu,Negin Forouzesh,Igor S. Tolokh, Anuj Karpatne,Alexey V. Onufriev
Journal of Chemical Theory and Computationno. 1 (2023): 396-410
David A. Case,Hasan Metin Aktulga,Kellon Belfon,David S. Cerutti,G. Andres Cisneros,Vinicus Wilian D. Cruzeiro,Negin Forouzesh,Timothy J. Giese,Andreas W. Gotz,Holger Gohlke,Saeed Izadi,Koushik Kasavajhala,Mehmet C. Kaymak,Edward King,Tom Kurtzman,Tai-Sung Lee,Pengfei Li,Jian Liu,Tyler Luchko,Ray Luo,Madushanka Manathunga,Matias R. Machado,Hai Minh Nguyen,Kurt A. O'Hearn,Alexey V. Onufriev,Feng Pan,Sergio Pantano,Ruxi Qi,Ali Rahnamoun,Ali Risheh,Stephan Schott-Verdugo, Akhil Shajan,Jason Swails,Junmei Wang,Haixin Wei,Xiongwu Wu,Yongxian Wu, Shi Zhang,Shiji Zhao,Qiang Zhu,I. I. I. Thomas E. Cheatham,Daniel R. Roe,Adrian Roitberg,Carlos Simmerling,Darrin M. York,Maria C. Nagan,Jr Kenneth M. Merz
JOURNAL OF CHEMICAL INFORMATION AND MODELINGno. 20 (2023): 6183-6191
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Author Statistics
#Papers: 170
#Citation: 24233
H-Index: 43
G-Index: 111
Sociability: 6
Diversity: 3
Activity: 12
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