Takip et
Taisung Lee
Taisung Lee
Rutgers University
rutgers.edu üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
Amber 10
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
University of California, 2008
9786*2008
Amber 2023
DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ...
University of California, San Francisco, 2023
59562023
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
52472000
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
5962023
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
4142020
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
3962018
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
2502014
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
1952019
Solvent structure and hammerhead ribozyme catalysis
M Martick, TS Lee, DM York, WG Scott
Chemistry & biology 15 (4), 332-342, 2008
1462008
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
AMBER 2018; 2018
DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ...
University of California, San Francisco, 2018
1232018
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
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Makaleler 1–20