T. Dwight McGee Jr.
T. Dwight McGee Jr.
Postdoctoral Researcher
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Cited by
Cited by
Year An Efficient Program for End-State Free Energy Calculations
BR Miller III, TD McGee Jr, JM Swails, N Homeyer, H Gohlke, AE Roitberg
Journal of chemical theory and computation 8 (9), 3314-3321, 2012
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
pH-REMD simulations indicate that the catalytic aspartates of HIV-1 protease exist primarily in a monoprotonated state
TD McGee Jr, J Edwards, AE Roitberg
The Journal of Physical Chemistry B 118 (44), 12577-12585, 2014
Defective hydrophobic sliding mechanism and active site expansion in HIV-1 protease drug resistant variant Gly48Thr/Leu89Met: mechanisms for the loss of saquinavir binding potency
NE Goldfarb, M Ohanessian, S Biswas, TD McGee Jr, BP Mahon, ...
Biochemistry 54 (2), 422-433, 2015
Preliminary molecular dynamic simulations of the estrogen receptor alpha ligand binding domain from antagonist to apo
TD McGee, J Edwards, AE Roitberg
International Journal of Environmental Research and Public Health 5 (2), 111-114, 2008
Structure-based identification of inhibitors targeting obstruction of the HIVgp41 N-heptad repeat trimer
T. Dwight McGee Jr., Hyun Ah Yi, William J. Allen, Amy Jacobs, Robert C. Rizzo
Bioorg Med Chem Lett. 27 (14), 3177–3184, 2017
py: An efficient program for end-state free energy calculations., 2012, 8
BR Miller, TD McGee, JM Swails, N Homeyer, H Gohlke, AER MMPBSA
DOI: https://doi. org/10.1021/ct300418h, 3314-3321, 0
H. Gohlke i A. Roitberg
BR Miller, TD McGee, J Swails, N Homeyer
J Chem Theory Comput 8, 3314-3321, 2012
Identification of Zika virus inhibitors using homology modeling and similarity-based screening to target glycoprotein E
SM Telehany, MS Humby, TD McGee Jr, SP Riley, A Jacobs, RC Rizzo
Biochemistry 59 (39), 3709-3724, 2020
800 MMPBSA. py: An Efficient Program for End-State Free Energy Calculations
BR Miller, TD McGee, JM Swails, N Homeyer, H Gohlke, A Roitberg
Journal of 801, 3314-3321, 0
Benchmarking adaptive steered molecular dynamics (ASMD) on charmm force fields
C Allen, HR Bureau, TD McGee Jr, S Quirk, R Hernandez
ChemPhysChem 23 (17), e202200175, 2022
DOCK 6.9 users manual
WJ Allen, T Balius, S Brozell, B Fochtman, L Jiang, TD McGee Jr, I Kuntz
University of California, California 27, 2018
Molecular Dynamics Study of the Conformational Dynamics of HIV-1 Protease Subtypes A, B, C, and F
TD McGee
University of Florida, 2010
DOCK 6.10 Users Manual
WJ Allen, T Balius, J Bickel, B Boysan, S Brozell, C Corbo, B Fochtman, ...
AMBER Advanced Tutorial 26
TD McGee Jr, H Bureau, C Allen, R Hernandez
Adaptive Steered Molecular Dynamics
TD McGee Jr, H Bureau, C Allen, R Hernandez
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