关注
Gregory J. Tawa
Gregory J. Tawa
其他姓名Gregory Tawa, Greg J. Tawa, Greg Tawa
在 nih.gov 的电子邮件经过验证
标题
引用次数
引用次数
年份
Classification of scaffold-hopping approaches
H Sun, G Tawa, A Wallqvist
Drug discovery today 17 (7-8), 310-324, 2012
3712012
Calculation of the aqueous solvation free energy of the proton
GJ Tawa, IA Topol, SK Burt, RA Caldwell, AA Rashin
The Journal of Chemical Physics 109 (12), 4852-4863, 1998
3581998
Identification of 53 compounds that block Ebola virus-like particle entry via a repurposing screen of approved drugs
J Kouznetsova, W Sun, C Martínez-Romero, G Tawa, P Shinn, CZ Chen, ...
Emerging microbes & infections 3 (1), 1-7, 2014
2622014
Virtual screening in drug discovery
J Alvarez, B Shoichet
CRC press, 2005
1932005
Calculation of absolute and relative acidities of substituted imidazoles in aqueous solvent
IA Topol, GJ Tawa, SK Burt, AA Rashin
The Journal of Physical Chemistry A 101 (51), 10075-10081, 1997
1911997
On the structure and thermodynamics of solvated monoatomic ions using a hybrid solvation model
IA Topol, GJ Tawa, SK Burt, AA Rashin
The Journal of Chemical Physics 111 (24), 10998-11014, 1999
1461999
Enantiomeric separation and determination of absolute stereochemistry of asymmetric molecules in drug discovery—building chiral technology toolboxes
O Mcconnell, A Bach, C Balibar, N Byrne, Y Cai, G Carter, M Chlenov, ...
Chirality: the pharmacological, biological, and chemical consequences of …, 2007
1182007
Discovery of 5-Arylsulfonamido-3- (pyrrolidin-2-ylmethyl)-1H-indole Derivatives as Potent, Selective 5-HT6 Receptor Agonists and Antagonists
DC Cole, WJ Lennox, S Lombardi, JW Ellingboe, RC Bernotas, GJ Tawa, ...
Journal of medicinal chemistry 48 (2), 353-356, 2005
1162005
Structure and Reactivity in Aqueous Solution: An Overview
CJ Cramer, DG Truhlar
1161994
Synergistic drug combination effectively blocks Ebola virus infection
W Sun, S He, C Martínez-Romero, J Kouznetsova, G Tawa, M Xu, P Shinn, ...
Antiviral research 137, 165-172, 2017
1022017
Exploring polypharmacology using a ROCS-based target fishing approach
MDM AbdulHameed, S Chaudhury, N Singh, H Sun, A Wallqvist, GJ Tawa
Journal of chemical information and modeling 52 (2), 492-505, 2012
932012
Algebraic variational and propagation formalisms for quantal dynamics calculations of electronic‐to‐vibrational, rotational energy transfer and application to the quenching of …
GJ Tawa, SL Mielke, DG Truhlar, DW Schwenke
The Journal of chemical physics 100 (8), 5751-5777, 1994
911994
Acidity of organic molecules in the gas phase and in aqueous solvent
IA Topol, GJ Tawa, RA Caldwell, MA Eissenstat, SK Burt
The Journal of Physical Chemistry A 104 (42), 9619-9624, 2000
902000
Systems level analysis and identification of pathways and networks associated with liver fibrosis
MDM AbdulHameed, GJ Tawa, K Kumar, DL Ippolito, JA Lewis, ...
PloS one 9 (11), e112193, 2014
732014
Design, synthesis, and biological evaluation of quinazolin-4-one-based hydroxamic acids as dual PI3K/HDAC inhibitors
A Thakur, GJ Tawa, MJ Henderson, C Danchik, S Liu, P Shah, AQ Wang, ...
Journal of medicinal chemistry 63 (8), 4256-4292, 2020
692020
Computational tools and resources for metabolism-related property predictions. 1. Overview of publicly available (free and commercial) databases and software
ML Peach, AV Zakharov, R Liu, A Pugliese, G Tawa, A Wallqvist, ...
Future medicinal chemistry 4 (15), 1907-1932, 2012
652012
Overcoming adaptive therapy resistance in AML by targeting immune response pathways
K Melgar, MM Walker, LQM Jones, LC Bolanos, K Hueneman, ...
Science translational medicine 11 (508), eaaw8828, 2019
632019
Quantum photochemistry. Accurate quantum scattering calculations for an electronically nonadiabatic reaction
SL Mielke, GJ Tawa, DG Truhlar, DW Schwenke
Chemical physics letters 234 (1-3), 57-63, 1995
611995
Treatment paradigms for retinal and macular diseases using 3-D retina cultures derived from human reporter pluripotent stem cell lines
R Kaewkhaw, M Swaroop, K Homma, J Nakamura, M Brooks, KD Kaya, ...
Investigative ophthalmology & visual science 57 (5), ORSFl1-ORSFl11, 2016
592016
Solvation free energy calculations using a continuum dielectric model for the solvent and gradient-corrected density functional theory for the solute
GJ Tawa, RL Martin, LR Pratt, TV Russo
The Journal of Physical Chemistry 100 (5), 1515-1523, 1996
551996
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