All papers authored by Darrin York
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2024
Shi Zhang 
,
Timothy J. Giese ,
Tai-Sung Lee ,
Darrin M. York
,
Timothy J. Giese ,
Tai-Sung Lee ,
Darrin M. York
Alchemical Enhanced Sampling with Optimized Phase Space Overlap
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2023
David A. Case ,
Hasan Metin Aktulga,
Kellon Belfon,
David S. Cerutti,
G. Andrés Cisneros ,
Vinícius Wilian D. Cruzeiro ,
Negin Forouzesh,
Timothy J. Giese ,
Andreas W. Götz ,
Holger Gohlke ,
Saeed Izadi,
Koushik Kasavajhala,
Mehmet C. Kaymak,
Edward King,
Tom Kurtzman
and 32 other authors
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,
Hasan Metin Aktulga,
Kellon Belfon,
David S. Cerutti,
G. Andrés Cisneros ,
Vinícius Wilian D. Cruzeiro ,
Negin Forouzesh,
Timothy J. Giese ,
Andreas W. Götz ,
Holger Gohlke ,
Saeed Izadi,
Koushik Kasavajhala,
Mehmet C. Kaymak,
Edward King,
Tom Kurtzman
and 32 other authors
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Benjamin Weissman ,
Şölen Ekesan ,
Hsuan-Chun Lin,
Shahbaz Gardezi,
Nan-Sheng Li ,
Timothy J. Giese ,
Erika McCarthy ,
Michael E. Harris ,
Darrin M. York ,
Joseph A. Piccirilli
,
Şölen Ekesan ,
Hsuan-Chun Lin,
Shahbaz Gardezi,
Nan-Sheng Li ,
Timothy J. Giese ,
Erika McCarthy ,
Michael E. Harris ,
Darrin M. York ,
Joseph A. Piccirilli
Dissociative Transition State in Hepatitis Delta Virus Ribozyme Catalysis
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Jinzhe Zeng ,
Yujun Tao ,
Timothy J. Giese ,
Darrin M. York
,
Yujun Tao ,
Timothy J. Giese ,
Darrin M. York
QDπ: A Quantum Deep Potential Interaction Model for Drug Discovery
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Tai-Sung Lee ,
Hsu-Chun Tsai ,
Abir Ganguly ,
Darrin M. York
,
Hsu-Chun Tsai ,
Abir Ganguly ,
Darrin M. York
ACES: Optimized Alchemically Enhanced Sampling
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Hsu-Chun Tsai ,
Tai-Sung Lee ,
Abir Ganguly ,
Timothy J. Giese ,
Maximilian Ccjc Ebert,
Paul Labute,
Kenneth M. Merz ,
Darrin M. York
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,
Tai-Sung Lee ,
Abir Ganguly ,
Timothy J. Giese ,
Maximilian Ccjc Ebert,
Paul Labute,
Kenneth M. Merz ,
Darrin M. York
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Timothy J. Giese ,
Jinzhe Zeng ,
Darrin M. York
,
Jinzhe Zeng ,
Darrin M. York
Multireference Generalization of the Weighted Thermodynamic Perturbation Method
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2020
Abir Ganguly ,
Benjamin P. Weissman,
Timothy J. Giese,
Nan-Sheng Li,
Shuichi Hoshika,
Saieesh Rao,
Steven A. Benner,
Joseph A. Piccirilli ,
Darrin M. York
,
Benjamin P. Weissman,
Timothy J. Giese,
Nan-Sheng Li,
Shuichi Hoshika,
Saieesh Rao,
Steven A. Benner,
Joseph A. Piccirilli ,
Darrin M. York
Confluence of theory and experiment reveals the catalytic mechanism of the Varkud satellite ribozyme
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2019
Abir Ganguly ,
Benjamin P. Weissman ,
Joseph A. Piccirilli ,
Darrin M. York
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,
Benjamin P. Weissman ,
Joseph A. Piccirilli ,
Darrin M. York
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2017
Colin S. Gaines,
Darrin M. York
Model for the Functional Active State of the TS Ribozyme from Molecular Simulation
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Ming Huang ,
Thakshila Dissanayake,
Erich Kuechler ,
Brian K. Radak ,
Tai-Sung Lee ,
Timothy J. Giese,
Darrin M. York
,
Thakshila Dissanayake,
Erich Kuechler ,
Brian K. Radak ,
Tai-Sung Lee ,
Timothy J. Giese,
Darrin M. York
A Multidimensional B-Spline Correction for Accurate Modeling Sugar Puckering in QM/MM Simulations
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