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Plos One
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November 15, 2019
Exploring optimization strategies for improving explicit water models: Rigid n-point model and polarizable model based on Drude oscillator
Yeyue Xiong, Alexey V Onufriev
Journal of Chemical Theory and Computation
|
October 3, 2022
Fast Polarizable Water Model for Atomistic Simulations
Yeyue Xiong, Saeed Izadi, Alexey V Onufriev
ACS Omega
|
October 12, 2020
Melting Points of OPC and OPC3 Water Models
Yeyue Xiong, Parviz Seifpanahi Shabane, Alexey V Onufriev
Journal of Chemical Theory and Computation
|
September 16, 2024
Implicit Solvent with Explicit Ions Generalized Born Model in Molecular Dynamics: Application to DNA
Egor S Kolesnikov, Yeyue Xiong, Alexey V Onufriev
Journal of Chemical Theory and Computation
|
December 3, 2025
Glide WS: Methodology and Initial Assessment of Performance for Docking Accuracy and Virtual Screening
Richard A Friesner, Robert B Murphy, Yuqi Zhang, et al.
Journal of Chemical Information and Modeling
|
July 8, 2025
Enabling <i>In-Silico</i> Hit Discovery Workflows Targeting RNA with Small Molecules
Nikita Chopra, Ara M Abramyan, Zeineb Si Chaib, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Plos One
|
November 15, 2019
Exploring optimization strategies for improving explicit water models: Rigid n-point model and polarizable model based on Drude oscillator
Yeyue Xiong, Alexey V Onufriev
Journal of Chemical Theory and Computation
|
October 3, 2022
Fast Polarizable Water Model for Atomistic Simulations
Yeyue Xiong, Saeed Izadi, Alexey V Onufriev
ACS Omega
|
October 12, 2020
Melting Points of OPC and OPC3 Water Models
Yeyue Xiong, Parviz Seifpanahi Shabane, Alexey V Onufriev
Journal of Chemical Theory and Computation
|
September 16, 2024
Implicit Solvent with Explicit Ions Generalized Born Model in Molecular Dynamics: Application to DNA
Egor S Kolesnikov, Yeyue Xiong, Alexey V Onufriev
Journal of Chemical Theory and Computation
|
December 3, 2025
Glide WS: Methodology and Initial Assessment of Performance for Docking Accuracy and Virtual Screening
Richard A Friesner, Robert B Murphy, Yuqi Zhang, et al.
Journal of Chemical Information and Modeling
|
July 8, 2025
Enabling <i>In-Silico</i> Hit Discovery Workflows Targeting RNA with Small Molecules
Nikita Chopra, Ara M Abramyan, Zeineb Si Chaib, et al.
Page
of 1