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Journal of Chemical Theory and Computation
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September 12, 2022
Accurate Reproduction of Quantum Mechanical Many-Body Interactions in Peptide Main-Chain Hydrogen-Bonding Oligomers by the Polarizable Gaussian Multipole Model
Shiji Zhao, Haixin Wei, Piotr Cieplak, et al.
Journal of Computational Physics
|
April 19, 2016
A semi-implicit augmented IIM for Navier-Stokes equations with open, traction, or free boundary conditions
Zhilin Li, Li Xiao, Qin Cai, et al.
Journal of Chemical Theory and Computation
|
June 1, 2017
A Continuum Poisson-Boltzmann Model for Membrane Channel Proteins
Li Xiao, Jianxiong Diao, D'Artagnan Greene, et al.
Journal of Chemical Theory and Computation
|
May 10, 2022
<i>PyRESP</i>: A Program for Electrostatic Parameterizations of Additive and Induced Dipole Polarizable Force Fields
Shiji Zhao, Haixin Wei, Piotr Cieplak, et al.
Journal of Chemical Information and Modeling
|
February 3, 2021
Development of a Pantetheine Force Field Library for Molecular Modeling
Shiji Zhao, Andrew J Schaub, Shiou-Chuan Tsai, et al.
The Journal of Physical Chemistry. B
|
October 30, 2018
Computational Studies of Intrinsically Disordered Proteins
Vy T Duong, Zihao Chen, Mahendra T Thapa, et al.
Journal of Chemical Theory and Computation
|
September 19, 2019
Improved Poisson-Boltzmann Methods for High-Performance Computing
Haixin Wei, Aaron Luo, Tianyin Qiu, et al.
Journal of Chemical Information and Modeling
|
February 27, 2025
Correction to "Development of a Pantetheine Force Field Library for Molecular Modeling"
Shiji Zhao, Andrew J Schaub, Shiou-Chuan Tsai, et al.
Journal of Chemical Theory and Computation
|
March 25, 2021
Estimating the Roles of Protonation and Electronic Polarization in Absolute Binding Affinity Simulations
Edward King, Ruxi Qi, Han Li, et al.
Journal of Chemical Information and Modeling
|
May 31, 2019
Heterogeneous Dielectric Implicit Membrane Model for the Calculation of MMPBSA Binding Free Energies
D'Artagnan Greene, Ruxi Qi, Remy Nguyen, et al.
Page
of 15
Search research articles
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Showing results (61-70 of 147) with videos related to
Sort By:
Page
of 15
Journal of Chemical Theory and Computation
|
September 12, 2022
Accurate Reproduction of Quantum Mechanical Many-Body Interactions in Peptide Main-Chain Hydrogen-Bonding Oligomers by the Polarizable Gaussian Multipole Model
Shiji Zhao, Haixin Wei, Piotr Cieplak, et al.
Journal of Computational Physics
|
April 19, 2016
A semi-implicit augmented IIM for Navier-Stokes equations with open, traction, or free boundary conditions
Zhilin Li, Li Xiao, Qin Cai, et al.
Journal of Chemical Theory and Computation
|
June 1, 2017
A Continuum Poisson-Boltzmann Model for Membrane Channel Proteins
Li Xiao, Jianxiong Diao, D'Artagnan Greene, et al.
Journal of Chemical Theory and Computation
|
May 10, 2022
<i>PyRESP</i>: A Program for Electrostatic Parameterizations of Additive and Induced Dipole Polarizable Force Fields
Shiji Zhao, Haixin Wei, Piotr Cieplak, et al.
Journal of Chemical Information and Modeling
|
February 3, 2021
Development of a Pantetheine Force Field Library for Molecular Modeling
Shiji Zhao, Andrew J Schaub, Shiou-Chuan Tsai, et al.
The Journal of Physical Chemistry. B
|
October 30, 2018
Computational Studies of Intrinsically Disordered Proteins
Vy T Duong, Zihao Chen, Mahendra T Thapa, et al.
Journal of Chemical Theory and Computation
|
September 19, 2019
Improved Poisson-Boltzmann Methods for High-Performance Computing
Haixin Wei, Aaron Luo, Tianyin Qiu, et al.
Journal of Chemical Information and Modeling
|
February 27, 2025
Correction to "Development of a Pantetheine Force Field Library for Molecular Modeling"
Shiji Zhao, Andrew J Schaub, Shiou-Chuan Tsai, et al.
Journal of Chemical Theory and Computation
|
March 25, 2021
Estimating the Roles of Protonation and Electronic Polarization in Absolute Binding Affinity Simulations
Edward King, Ruxi Qi, Han Li, et al.
Journal of Chemical Information and Modeling
|
May 31, 2019
Heterogeneous Dielectric Implicit Membrane Model for the Calculation of MMPBSA Binding Free Energies
D'Artagnan Greene, Ruxi Qi, Remy Nguyen, et al.
Page
of 15