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Biorxiv : the Preprint Server for Biology
|
September 12, 2022
Entropic overcompensation of the N501Y mutation on SARS-CoV-2 S binding to ACE2
Natasha Gupta Vergara, Meghan Gatchel, Cameron F Abrams
Chemical Science
|
April 29, 2017
Polymorphism at 129 dictates metastable conformations of the human prion protein N-terminal β-sheet
S Alexis Paz, Eric Vanden-Eijnden, Cameron F Abrams
Biochimica Et Biophysica Acta
|
January 21, 2014
Characterization of the water defect at the HIV-1 gp41 membrane spanning domain in bilayers with and without cholesterol using molecular simulations
Michelle K Baker, Vamshi K Gangupomu, Cameron F Abrams
Proteins
|
April 11, 2018
Roles of conserved tryptophans in trimerization of HIV-1 membrane-proximal external regions: Implications for virucidal design via alchemical free-energy molecular simulations
Steven T Gossert, Bibek Parajuli, Irwin Chaiken, et al.
Protein Science : a Publication of the Protein Society
|
September 14, 2020
Roles of variable linker length in dual acting virucidal entry inhibitors on HIV-1 potency via on-the-fly free energy molecular simulations
Steven T Gossert, Bibek Parajuli, Irwin Chaiken, et al.
Chemmedchem
|
January 17, 2018
Specific Noncovalent Interactions Determine Optimal Structure of a Buried Ligand Moiety: QM/MM and Pure QM Modeling of Complexes of the Small-Molecule CD4 Mimetics and HIV-1 gp120
Francesca Moraca, David Rinaldo, Amos B Smith, et al.
Physical Review Letters
|
July 15, 2003
Arrested swelling of highly entangled polymer globules
Nam-Kyung Lee, Cameron F Abrams, A Johner, et al.
Journal of Chemical Theory and Computation
|
May 12, 2016
Kinetics of O2 Entry and Exit in Monomeric Sarcosine Oxidase via Markovian Milestoning Molecular Dynamics
Anthony Bucci, Tang-Qing Yu, Eric Vanden-Eijnden, et al.
Journal of the American Chemical Society
|
February 10, 2015
Full kinetics of CO entry, internal diffusion, and exit in myoglobin from transition-path theory simulations
Tang-Qing Yu, Mauro Lapelosa, Eric Vanden-Eijnden, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
October 5, 2016
Multiscale implementation of infinite-swap replica exchange molecular dynamics
Tang-Qing Yu, Jianfeng Lu, Cameron F Abrams, et al.
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Showing results (41-50 of 71) with videos related to
Sort By:
Page
of 8
Biorxiv : the Preprint Server for Biology
|
September 12, 2022
Entropic overcompensation of the N501Y mutation on SARS-CoV-2 S binding to ACE2
Natasha Gupta Vergara, Meghan Gatchel, Cameron F Abrams
Chemical Science
|
April 29, 2017
Polymorphism at 129 dictates metastable conformations of the human prion protein N-terminal β-sheet
S Alexis Paz, Eric Vanden-Eijnden, Cameron F Abrams
Biochimica Et Biophysica Acta
|
January 21, 2014
Characterization of the water defect at the HIV-1 gp41 membrane spanning domain in bilayers with and without cholesterol using molecular simulations
Michelle K Baker, Vamshi K Gangupomu, Cameron F Abrams
Proteins
|
April 11, 2018
Roles of conserved tryptophans in trimerization of HIV-1 membrane-proximal external regions: Implications for virucidal design via alchemical free-energy molecular simulations
Steven T Gossert, Bibek Parajuli, Irwin Chaiken, et al.
Protein Science : a Publication of the Protein Society
|
September 14, 2020
Roles of variable linker length in dual acting virucidal entry inhibitors on HIV-1 potency via on-the-fly free energy molecular simulations
Steven T Gossert, Bibek Parajuli, Irwin Chaiken, et al.
Chemmedchem
|
January 17, 2018
Specific Noncovalent Interactions Determine Optimal Structure of a Buried Ligand Moiety: QM/MM and Pure QM Modeling of Complexes of the Small-Molecule CD4 Mimetics and HIV-1 gp120
Francesca Moraca, David Rinaldo, Amos B Smith, et al.
Physical Review Letters
|
July 15, 2003
Arrested swelling of highly entangled polymer globules
Nam-Kyung Lee, Cameron F Abrams, A Johner, et al.
Journal of Chemical Theory and Computation
|
May 12, 2016
Kinetics of O2 Entry and Exit in Monomeric Sarcosine Oxidase via Markovian Milestoning Molecular Dynamics
Anthony Bucci, Tang-Qing Yu, Eric Vanden-Eijnden, et al.
Journal of the American Chemical Society
|
February 10, 2015
Full kinetics of CO entry, internal diffusion, and exit in myoglobin from transition-path theory simulations
Tang-Qing Yu, Mauro Lapelosa, Eric Vanden-Eijnden, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
October 5, 2016
Multiscale implementation of infinite-swap replica exchange molecular dynamics
Tang-Qing Yu, Jianfeng Lu, Cameron F Abrams, et al.
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of 8