E-LIB Suche - Ergebnisse für: McGee, T. Dwight

1

Preliminary Molecular Dynamic Simulations of the Estrogen R..:

McGee, T. Dwight ; Edwards, Jesse ; Roitberg, Adrian E.
International Journal of Environmental Research and Public Health. 5 (2008) 2 - p. 111-114 , 2008

Link: https://doi.org/10.3390/..

2

Preliminary Molecular Dynamic Simulations of the Estrogen R..:

McGee, T. Dwight
International Journal of Environmental Research and Public Health. 5 (2008) 2 - p. 111-114 , 2008

Link: https://doi.org/10.3390/..

3

Benchmarking Adaptive Steered Molecular Dynamics (ASMD) on ..:

Allen, Caley ; Bureau, Hailey R. ; McGee Jr., T. Dwight..
ChemPhysChem. 23 (2022) 17 - p. , 2022

Link: https://doi.org/10.1002/..

4

Alchemical Binding Free Energy Calculations in AMBER20: Adv..:

Lee, Tai-Sung ; Allen, Bryce K. ; Giese, Timothy J....
Journal of Chemical Information and Modeling. 60 (2020) 11 - p. 5595-5623 , 2020

Link: https://doi.org/10.1021/..

5

Identification of Zika Virus Inhibitors Using Homology Mode..:

Telehany, Stephen M. ; Humby, Monica S. ; McGee Jr., T. Dwight...
Biochemistry. 59 (2020) 39 - p. 3709-3724 , 2020

Link: https://doi.org/10.1021/..

6

Structure-based identification of inhibitors targeting obst..:

McGee Jr., T. Dwight ; Yi, Hyun Ah ; Allen, William J...
Bioorganic & Medicinal Chemistry Letters. 27 (2017) 14 - p. 3177-3184 , 2017

Link: https://doi.org/10.1016/..

7

Defective Hydrophobic Sliding Mechanism and Active Site Exp..:

Goldfarb, Nathan E. ; Ohanessian, Meray ; Biswas, Shyamasri...
Biochemistry. 54 (2015) 2 - p. 422-433 , 2015

Link: https://doi.org/10.1021/..

8

pH-REMD Simulations Indicate That the Catalytic Aspartates ..:

McGee Jr., T. Dwight ; Edwards, Jesse ; Roitberg, Adrian E.
The Journal of Physical Chemistry B. 118 (2014) 44 - p. 12577-12585 , 2014

Link: https://doi.org/10.1021/..

9

MMPBSA.py: An Efficient Program for End-State Free Energy C..:

Miller III, Bill R. ; McGee Jr., T. Dwight ; Swails, Jason M....
Journal of Chemical Theory and Computation. 8 (2012) 9 - p. 3314-3321 , 2012

Link: https://doi.org/10.1021/..

10

Identification of Zika Virus Inhibitors Using Homology Mode..:

Telehany, Stephen M ; Humby, Monica S ; McGee, T. Dwight...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7598728/. , 2020

Link: http://www.ncbi.nlm.nih...

11

Alchemical Binding Free Energy Calculations in AMBER20: Adv..:

Lee, Tai-Sung ; Allen, Bryce K ; Giese, Timothy J...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7686026/. , 2020

Link: http://www.ncbi.nlm.nih...

12

Structure-based identification of inhibitors targeting obst..:

McGee, T. Dwight ; Yi, Hyun Ah ; Allen, William J..
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5551449/. , 2017

Link: http://www.ncbi.nlm.nih...

13

Defective Hydrophobic Sliding Mechanism and Active Site Exp..:

Goldfarb, Nathan E ; Ohanessian, Meray ; Biswas, Shyamasri...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4303317/. , 2014

Link: http://www.ncbi.nlm.nih...

14

Preliminary Molecular Dynamic Simulations of the Estrogen R..:

Adrian E. Roitberg ; Jesse Edwards ; T. Dwight McGee
http://www.mdpi.com/1660-4601/5/2/111/. , 2008

Link: https://doaj.org/article..

15

Preliminary Molecular Dynamic Simulations of the Estrogen R..:

T. Dwight McGee ; Jesse Edwards ; Adrian E. Roitberg
https://dx.doi.org/10.3390/ijerph5020111. , 2008

Link: https://doi.org/10.3390/..