All papers authored by Darrin York
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2024
Timothy J. Giese 
,
Jinzhe Zeng ,
Lauren Lerew,
Erika McCarthy ,
Yujun Tao ,
Şölen Ekesan,
Darrin M. York
,
Jinzhe Zeng ,
Lauren Lerew,
Erika McCarthy ,
Yujun Tao ,
Şölen Ekesan,
Darrin M. York
Software Infrastructure for Next-Generation QM/MM−ΔMLP Force Fields
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Yujun Tao ,
Timothy J. Giese ,
Şölen Ekesan,
Jinzhe Zeng ,
Bálint Aradi ,
Ben Hourahine ,
Hasan Metin Aktulga ,
Andreas W. Götz ,
Kenneth M. Merz ,
Darrin M. York
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,
Timothy J. Giese ,
Şölen Ekesan,
Jinzhe Zeng ,
Bálint Aradi ,
Ben Hourahine ,
Hasan Metin Aktulga ,
Andreas W. Götz ,
Kenneth M. Merz ,
Darrin M. York
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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
Upload
Jinzhe Zeng ,
Duo Zhang ,
Denghui Lu ,
Pinghui Mo ,
Zeyu Li ,
Yixiao Chen ,
Marián Rynik ,
Li’ang Huang ,
Ziyao Li ,
Shaochen Shi ,
Yingze Wang,
Haotian Ye ,
Ping Tuo ,
Jiabin Yang,
Ye Ding
and 32 other authors
,
Duo Zhang ,
Denghui Lu ,
Pinghui Mo ,
Zeyu Li ,
Yixiao Chen ,
Marián Rynik ,
Li’ang Huang ,
Ziyao Li ,
Shaochen Shi ,
Yingze Wang,
Haotian Ye ,
Ping Tuo ,
Jiabin Yang,
Ye Ding
and 32 other authors
DeePMD-kit v2: A software package for deep potential models
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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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Şölen Ekesan,
Erika McCarthy ,
David A. Case ,
Darrin M. York
,
David A. Case ,
Darrin M. York
RNA Electrostatics: How Ribozymes Engineer Active Sites to Enable Catalysis
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