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Molecular Dynamics of the Proline Switch and Its Role in Crk Signaling
American Chemical Society | 2014| -
Influence of Multiple Sequence Alignment Depth on Potts Statistical Models of Protein Covariation
Free accessArXiv | 2018| -
Conformational Transitions and Convergence of Absolute Binding Free Energy Calculations
American Chemical Society | 2012| -
Binding Energy Distribution Analysis Method (BEDAM) for Estimation of Protein−Ligand Binding Affinities
American Chemical Society | 2010| -
How Kinetics within the Unfolded State Affects Protein Folding: An Analysis Based on Markov State Models and an Ultra-Long MD Trajectory
American Chemical Society | 2013| -
NMR Relaxation in Proteins with Fast Internal Motions and Slow Conformational Exchange: Model-Free Framework and Markov State Simulations
American Chemical Society | 2013| -
Protein Loop Conformational Free Energy Changes via an Alchemical Path without Reaction Coordinates
American Chemical Society | 2021| -
Connecting Free Energy Surfaces in Implicit and Explicit Solvent: An Efficient Method To Compute Conformational and Solvation Free Energies
American Chemical Society | 2015| -
Cavity Particle in Aqueous Solution with a Hydrophobic Solute: Structure, Energetics, and Functionals
American Chemical Society | 2020|
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