Spontaneous Conformational Changes in the E. coli GroEL Subunit from All-Atom Molecular Dynamics Simulations

מאת Sliozberg, Yelena, Abrams, Cameron F.
יצא לאור 2007

Ligand Escape Pathways and (Un)Binding Free Energy Calculations for the Hexameric Insulin-Phenol Complex

מאת Vashisth, Harish, Abrams, Cameron F.
יצא לאור 2008

A mechanism by which binding of the broadly neutralizing antibody b12 unfolds the inner domain α1 helix in an engineered HIV-1 gp120

מאת Emileh, Ali, Abrams, Cameron F.
יצא לאור 2011

Energetics and mechanism of the normal-to-amyloidogenic isomerization of β2-microglobulin: On-the-fly string method calculations

מאת Stober, Spencer T., Abrams, Cameron F.
יצא לאור 2012

Enhanced meta-analysis of acetylcholine binding protein structures reveals conformational signatures of agonism in nicotinic receptors

מאת Stober, Spencer T, Abrams, Cameron F
יצא לאור 2012

A computational study of water and CO migration sites and channels inside myoglobin

מאת Lapelosa, Mauro, Abrams, Cameron F.
יצא לאור 2013

Transition-Path Theory Calculations on Non-Uniform Meshes in Two and Three Dimensions using Finite Elements

מאת Lapelosa, Mauro, Abrams, Cameron F.
יצא לאור 2013

Oxygen Pathways and Allostery in Monomeric Sarcosine Oxidase via Single-Sweep Free-Energy Reconstruction

מאת Bucci, Anthony, Abrams, Cameron F.
יצא לאור 2014

Large-scale conformational sampling of proteins using temperature-accelerated molecular dynamics

מאת Abrams, Cameron F., Vanden-Eijnden, Eric
יצא לאור 2010

All-Atom Models of the Membrane-Spanning Domain of HIV-1 gp41 from Metadynamics

מאת Gangupomu, Vamshi K., Abrams, Cameron F.
יצא לאור 2010

On-the-fly free energy parameterization via temperature accelerated molecular dynamics

מאת Abrams, Cameron F., Vanden-Eijnden, Eric
יצא לאור 2012

Dynamics of Lipids, Cholesterol, and Transmembrane α-Helices from Microsecond Molecular Dynamics Simulations

מאת Baker, Michelle K., Abrams, Cameron F.
הוצא לאור ב J Phys Chem B (2014)

Energetics of Flap Opening in HIV-1 Protease: String Method Calculations

מאת Gardner, Jasmine M., Abrams, Cameron F.
הוצא לאור ב J Phys Chem B (2019)

“DFG-Flip” in the Insulin Receptor Kinase Is Facilitated by a Helical Intermediate State of the Activation Loop

מאת Vashisth, Harish, Maragliano, Luca, Abrams, Cameron F.
יצא לאור 2012

Polymorphism at 129 dictates metastable conformations of the human prion protein N-terminal β-sheet

מאת Paz, S. Alexis, Vanden-Eijnden, Eric, Abrams, Cameron F.
הוצא לאור ב Chem Sci (2017)

Mapping saddles and minima on free energy surfaces using multiple climbing strings

מאת Shrivastav, Gourav, Vanden-Eijnden, Eric, Abrams, Cameron F.
הוצא לאור ב J Chem Phys (2019)

Characterization of the water defect at the HIV-1 gp41 membrane spanning domain in bilayers with and without cholesterol using molecular simulations

מאת Baker, Michelle K., Gangupomu, Vamshi K., Abrams, Cameron F.
יצא לאור 2014

Roles of Conserved Tryptophans in Trimerization of HIV-1 Membrane-Proximal External Regions: Implications for Virucidal Design via Alchemical Free-Energy Molecular Simulations

מאת Gossert, Steven T., Parajuli, Bibek, Chaiken, Irwin, Abrams, Cameron F.
הוצא לאור ב Proteins (2018)

Roles of variable linker length in dual acting virucidal entry inhibitors on HIV‐1 potency via on‐the‐fly free energy molecular simulations

מאת Gossert, Steven T., Parajuli, Bibek, Chaiken, Irwin, Abrams, Cameron F.
הוצא לאור ב Protein Sci (2020)

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

מאת Moraca, Francesca, Rinaldo, David, Smith, Amos B., Abrams, Cameron F.
הוצא לאור ב ChemMedChem (2018)