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T Dwight McGee

Showing results (1-10 of 8) with videos related to

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International Journal of Environmental Research and Public Health|August 6, 2008
Preliminary molecular dynamic simulations of the estrogen receptor alpha ligand binding domain from antagonist to apoT Dwight McGee, Jesse Edwards, Adrian E Roitberg
The Journal of Physical Chemistry. B|October 24, 2014
pH-REMD simulations indicate that the catalytic aspartates of HIV-1 protease exist primarily in a monoprotonated stateT Dwight McGee, Jesse Edwards, Adrian E Roitberg
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 20, 2022
Benchmarking Adaptive Steered Molecular Dynamics (ASMD) on CHARMM Force FieldsCaley Allen, Hailey R Bureau, T Dwight McGee, et al.
Bioorganic & Medicinal Chemistry Letters|June 1, 2017
Structure-based identification of inhibitors targeting obstruction of the HIVgp41 N-heptad repeat trimerT Dwight McGee, Hyun Ah Yi, William J Allen, et al.
Journal of Chemical Theory and Computation|November 26, 2015
MMPBSA.py: An Efficient Program for End-State Free Energy CalculationsBill R Miller, T Dwight McGee, Jason M Swails, et al.
Biochemistry|September 3, 2020
Identification of Zika Virus Inhibitors Using Homology Modeling and Similarity-Based Screening to Target Glycoprotein EStephen M Telehany, Monica S Humby, T Dwight McGee, et al.
Biochemistry|December 17, 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 potencyNathan E Goldfarb, Meray Ohanessian, Shyamasri Biswas, et al.
Journal of Chemical Information and Modeling|September 16, 2020
Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug DiscoveryTai-Sung Lee, Bryce K Allen, Timothy J Giese, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
International Journal of Environmental Research and Public Health|August 6, 2008
Preliminary molecular dynamic simulations of the estrogen receptor alpha ligand binding domain from antagonist to apoT Dwight McGee, Jesse Edwards, Adrian E Roitberg
The Journal of Physical Chemistry. B|October 24, 2014
pH-REMD simulations indicate that the catalytic aspartates of HIV-1 protease exist primarily in a monoprotonated stateT Dwight McGee, Jesse Edwards, Adrian E Roitberg
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 20, 2022
Benchmarking Adaptive Steered Molecular Dynamics (ASMD) on CHARMM Force FieldsCaley Allen, Hailey R Bureau, T Dwight McGee, et al.
Bioorganic & Medicinal Chemistry Letters|June 1, 2017
Structure-based identification of inhibitors targeting obstruction of the HIVgp41 N-heptad repeat trimerT Dwight McGee, Hyun Ah Yi, William J Allen, et al.
Journal of Chemical Theory and Computation|November 26, 2015
MMPBSA.py: An Efficient Program for End-State Free Energy CalculationsBill R Miller, T Dwight McGee, Jason M Swails, et al.
Biochemistry|September 3, 2020
Identification of Zika Virus Inhibitors Using Homology Modeling and Similarity-Based Screening to Target Glycoprotein EStephen M Telehany, Monica S Humby, T Dwight McGee, et al.
Biochemistry|December 17, 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 potencyNathan E Goldfarb, Meray Ohanessian, Shyamasri Biswas, et al.
Journal of Chemical Information and Modeling|September 16, 2020
Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug DiscoveryTai-Sung Lee, Bryce K Allen, Timothy J Giese, et al.
Pageof 1