Amber 2023 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ... University of California, San Francisco, 2023 | 5873 | 2023 |
AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of chemical information and modeling 63 (20), 6183-6191, 2023 | 580 | 2023 |
AMBER 22 reference manual DA Case, RE Duke, RC Walker, NR Skrynnikov, TE Cheatham III, ... University of California, San Francisco, United States-California, 2022 | 55 | 2022 |
Efficient formulation of polarizable Gaussian multipole electrostatics for biomolecular simulations H Wei, R Qi, J Wang, P Cieplak, Y Duan, R Luo The Journal of chemical physics 153 (11), 2020 | 24 | 2020 |
PyRESP: A Program for Electrostatic Parameterizations of Additive and Induced Dipole Polarizable Force Fields S Zhao, H Wei, P Cieplak, Y Duan, R Luo Journal of chemical theory and computation 18 (6), 3654-3670, 2022 | 18 | 2022 |
Stress tensor and constant pressure simulation for polarizable Gaussian multipole model H Wei, P Cieplak, Y Duan, R Luo The Journal of chemical physics 156 (11), 2022 | 12 | 2022 |
Improved Poisson–Boltzmann methods for high-performance computing H Wei, A Luo, T Qiu, R Luo, R Qi Journal of chemical theory and computation 15 (11), 6190-6202, 2019 | 12 | 2019 |
Accurate Reproduction of Quantum Mechanical Many-Body Interactions in Peptide Main-Chain Hydrogen-Bonding Oligomers by the Polarizable Gaussian Multipole Model S Zhao, H Wei, P Cieplak, Y Duan, R Luo Journal of chemical theory and computation 18 (10), 6172-6188, 2022 | 10 | 2022 |
Amber 2021 A Onufriev, F Pan, S Pantano, R Qi, A Rahnamoun, DR Roe, A Roitberg, ... University of California: San Francisco, 2021 | 10 | 2021 |
Amber 2019, 2019 D Case, I Ben-Shalom, S Brozell, D Cerutti, T Cheatham, V Cruzeiro III, ... University of California, San Francisco, 0 | 9 | |
An efficient second‐order poisson–boltzmann method H Wei, R Luo, R Qi Journal of computational chemistry 40 (12), 1257-1269, 2019 | 8 | 2019 |
Optimal scheme to achieve energy conservation in induced dipole models Z Huang, S Zhao, P Cieplak, Y Duan, R Luo, H Wei Journal of chemical theory and computation 19 (15), 5047-5057, 2023 | 6 | 2023 |
Machine-Learned Molecular Surface and Its Application to Implicit Solvent Simulation H Wei, Z Zhao, R Luo Journal of Chemical Theory and Computation 17 (10), 6214–6224, 2021 | 5 | 2021 |
Grid-Robust Efficient Neural Interface Model for Universal Molecule Surface Construction from Point Clouds Y Wu, H Wei, Q Zhu, R Luo The Journal of Physical Chemistry Letters 14 (40), 9034-9041, 2023 | 2 | 2023 |
PyRESP: A flexible program for polarizable force field parameterizations S Zhao, H Wei, P Cieplak, Y Duan, R Luo Biophysical Journal 121 (3), 273a, 2022 | 1 | 2022 |
Advancing MM/PBSA calculations with machine learning and cuda GPUs H Wei, Z Zhao, R Luo Biophysical Journal 121 (3), 527a-528a, 2022 | 1 | 2022 |
Development of polarizable Gaussian multipole model H Wei, Y Duan, J Wang, P Cieplak, R Luo Biophysical Journal 121 (3), 157a, 2022 | | 2022 |
Multi-scaled Modeling of Electrostatics in Biomolecules H Wei University of California, Irvine, 2022 | | 2022 |
Accelerating MM/PBSA calculation of protein-ligand binding on graphics processing units R Qi, A Luo, H Wei, R Luo ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
Implementing polarizable Gaussian multipole model for molecular dynamics simulations H Wei, R Qi, R Luo ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |