دنبال کردن
Taisung Lee
عنوان
نقل شده توسط
نقل شده توسط
سال
Amber 10‏
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...‏
University of California, 2008‏
9835*2008
Amber 2023‏
DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ...‏
University of California, San Francisco, 2023‏
60602023
Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models‏
PA Kollman, I Massova, C Reyes, B Kuhn, S Huo, L Chong, M Lee, T Lee, ...‏
Accounts of chemical research 33 (12), 889-897, 2000‏
52512000
A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations‏
Y Duan, C Wu, S Chowdhury, MC Lee, G Xiong, W Zhang, R Yang, ...‏
Journal of computational chemistry 24 (16), 1999-2012, 2003‏
50542003
Custom Search 2‏
DM York, TS Lee, GM Giambasu, A Moser, K Nam, C Silva-Lopez, ...‏
ACS Symposium Series 712, 275-287, 1998‏
1198*1998
A density-matrix divide-and-conquer approach for electronic structure calculations of large molecules‏
W Yang, TS Lee‏
Journal of Chemical Physics 103 (13), 5674-5678, 1995‏
6491995
A pseudobond approach to combining quantum mechanical and molecular mechanical methods‏
Y Zhang, TS Lee, W Yang‏
The Journal of chemical physics 110 (1), 46-54, 1999‏
6141999
AmberTools‏
DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ...‏
Journal of chemical information and modeling 63 (20), 6183-6191, 2023‏
6012023
A fast and high-quality charge model for the next generation general AMBER force field‏
X He, VH Man, W Yang, TS Lee, J Wang‏
The Journal of Chemical Physics 153 (11), 2020‏
4162020
GPU-accelerated molecular dynamics and free energy methods in Amber18: performance enhancements and new features‏
TS Lee, DS Cerutti, D Mermelstein, C Lin, S LeGrand, TJ Giese, ...‏
Journal of chemical information and modeling 58 (10), 2043-2050, 2018‏
3972018
Alchemical binding free energy calculations in AMBER20: Advances and best practices for drug discovery‏
TS Lee, BK Allen, TJ Giese, Z Guo, P Li, C Lin, TD McGee Jr, ...‏
Journal of Chemical Information and Modeling 60 (11), 5595-5623, 2020‏
2852020
The FF14SB force field‏
DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ...‏
Amber 14, 29-31, 2014‏
2542014
AMBER 14; University of California: San Francisco, 2014‏
DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ...‏
There is no corresponding record for this reference, 1-826, 2014‏
2482014
Linear‐scaling semiempirical quantum calculations for macromolecules‏
TS Lee, DM York, W Yang‏
The Journal of Chemical Physics 105 (7), 2744-2750, 1996‏
2221996
Using AMBER18 for relative free energy calculations‏
LF Song, TS Lee, C Zhu, DM York, KM Merz Jr‏
Journal of chemical information and modeling 59 (7), 3128-3135, 2019‏
1962019
Solvent structure and hammerhead ribozyme catalysis‏
M Martick, TS Lee, DM York, WG Scott‏
Chemistry & biology 15 (4), 332-342, 2008‏
1462008
AMBER 2018; 2018‏
DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ...‏
University of California, San Francisco, 2018‏
1292018
Toward fast and accurate binding affinity prediction with pmemdGTI: An efficient implementation of GPU-accelerated thermodynamic integration‏
TS Lee, Y Hu, B Sherborne, Z Guo, DM York‏
Journal of chemical theory and computation 13 (7), 3077-3084, 2017‏
1252017
AmberTools 16‏
DA Case, RM Betz, W Botello-Smith, DS Cerutti, TE Cheatham III, ...‏
University of California, San Francisco, 2016‏
1252016
Fast, accurate, and reliable protocols for routine calculations of protein–ligand binding affinities in drug design projects using AMBER GPU-TI with ff14SB/GAFF‏
X He, S Liu, TS Lee, B Ji, VH Man, DM York, J Wang‏
ACS omega 5 (9), 4611-4619, 2020‏
1182020
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–20