Yong Duan

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 21

Top Topics

Molecular Dynamics Simulations

Cross Sectional

Top Venues

Journal of chemical theory and computation

PLoS computational biology

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation (2024)
Yong Duan, Taoyu Niu, Junmei Wang, Piotr Cieplak, Ray Luo
PCMRESP: A Method for Polarizable Force Field Parameter Development and Transferability of the Polarizable Gaussian Multipole Models Across Multiple Solvents. Journal of chemical theory and computation (2024)
Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation 20 (5) (2024)
Yong Duan, Taoyu Niu, Junmei Wang, Piotr Cieplak, Ray Luo
PCMRESP: A Method for Polarizable Force Field Parameter Development and Transferability of the Polarizable Gaussian Multipole Models Across Multiple Solvents. Journal of chemical theory and computation 20 (7) (2024)
Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation 20 (5) (2024)
Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation 20 (5) (2024)
Yong Duan, Taoyu Niu, Junmei Wang, Piotr Cieplak, Ray Luo
PCMRESP: A Method for Polarizable Force Field Parameter Development and Transferability of the Polarizable Gaussian Multipole Models Across Multiple Solvents. Journal of chemical theory and computation 20 (7) (2024)
Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation 20 (5) (2024)
Yong Duan, Taoyu Niu, Junmei Wang, Piotr Cieplak, Ray Luo
PCMRESP: A Method for Polarizable Force Field Parameter Development and Transferability of the Polarizable Gaussian Multipole Models Across Multiple Solvents. Journal of chemical theory and computation 20 (7) (2024)
Yong Duan, Taoyu Niu, Junmei Wang, Piotr Cieplak, Ray Luo
PCMRESP: A Method for Polarizable Force Field Parameter Development and Transferability of the Polarizable Gaussian Multipole Models Across Multiple Solvents. Journal of chemical theory and computation 20 (7) (2024)
Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation 20 (5) (2024)
Qiang Zhu, Yongxian Wu, Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Streamlining and Optimizing Strategies of Electrostatic Parameterization. Journal of chemical theory and computation (2023)
Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Transferability of the Electrostatic Parameters of the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation 19 (3) (2023)
Zhen Huang, Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo, Haixin Wei
Optimal Scheme to Achieve Energy Conservation in Induced Dipole Models. Journal of chemical theory and computation (2023)
Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Transferability of the Electrostatic Parameters of the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation (2023)
Shiji Zhao, Piotr Cieplak, Yong Duan, Ray Luo
Transferability of the Electrostatic Parameters of the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation 19 (3) (2023)
Shiji Zhao, Haixin Wei, Piotr Cieplak, Yong Duan, Ray Luo
Accurate Reproduction of Quantum Mechanical Many-Body Interactions in Peptide Main-Chain Hydrogen-Bonding Oligomers by the Polarizable Gaussian Multipole Model. Journal of chemical theory and computation 18 (10) (2022)
Shiji Zhao, Haixin Wei, Piotr Cieplak, Yong Duan, Ray Luo
PyRESP : A Program for Electrostatic Parameterizations of Additive and Induced Dipole Polarizable Force Fields. Journal of chemical theory and computation 18 (6) (2022)
Haixin Wei, Ruxi Qi, Junmei Wang, Piotr Cieplak, Yong Duan, Ray Luo
Efficient formulation of polarizable Gaussian multipole electrostatics for biomolecular simulations. The Journal of chemical physics 153 (11) (2021)
Alireza Tafazzol, Yong Duan
Key residues in TLR4-MD2 tetramer formation identified by free energy simulations. PLoS computational biology 15 (10) (2019)
Junmei Wang, Piotr Cieplak, Ray Luo, Yong Duan
Development of Polarizable Gaussian Model for Molecular Mechanical Calculations I: Atomic Polarizability Parameterization To Reproduce ab Initio Anisotropy. Journal of chemical theory and computation 15 (2) (2019)