Yong Duan
University of California, Davis
H-index: 44
North America-United States
Top articles of Yong Duan
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model | Journal of Chemical Theory and Computation | Shiji Zhao Piotr Cieplak Yong Duan Ray Luo | 2024/2/23 |
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 | Yong Duan Taoyu Niu Junmei Wang Piotr Cieplak Ray Luo | 2024/3/19 |
Streamlining and Optimizing Strategies of Electrostatic Parameterization | Journal of Chemical Theory and Computation | Qiang Zhu Yongxian Wu Shiji Zhao Piotr Cieplak Yong Duan | 2023/9/7 |
Optimal scheme to achieve energy conservation in induced dipole models | Journal of chemical theory and computation | Zhen Huang Shiji Zhao Piotr Cieplak Yong Duan Ray Luo | 2023/7/13 |
Transferability of the Electrostatic Parameters of the Polarizable Gaussian Multipole Model | Journal of chemical theory and computation | Shiji Zhao Piotr Cieplak Yong Duan Ray Luo | 2023/1/25 |
PyRESP: A Program for Electrostatic Parameterizations of Additive and Induced Dipole Polarizable Force Fields | Journal of chemical theory and computation | Shiji Zhao Haixin Wei Piotr Cieplak Yong Duan Ray Luo | 2022/5/10 |
Stress tensor and constant pressure simulation for polarizable Gaussian multipole model | The Journal of chemical physics | Haixin Wei Piotr Cieplak Yong Duan Ray Luo | 2022/3/21 |
PyRESP: A flexible program for polarizable force field parameterizations | Biophysical Journal | Shiji Zhao Haixin Wei Piotr Cieplak Yong Duan Ray Luo | 2022/2/11 |
Development of polarizable Gaussian multipole model | Biophysical Journal | Haixin Wei Yong Duan Junmei Wang Piotr Cieplak Ray Luo | 2022/2/11 |
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 | Shiji Zhao Haixin Wei Piotr Cieplak Yong Duan Ray Luo | 2022/9/12 |
Efficient formulation of polarizable Gaussian multipole electrostatics for biomolecular simulations | arXiv preprint arXiv:2007.10517 | Haixin Wei Ruxi Qi Junmei Wang Piotr Cieplak Yong Duan | 2020/7/20 |
