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Publications by David Mobley

Biomolecular Solvation Structure Revealed by Molecular Dynamics Simulations

English

Binding Thermodynamics of Host-Guest Systems With SMIRNOFF99Frosst 1.0.5 From the Open Force Field Initiative

English

Enhancing Sidechain Rotamer Sampling Using Non-Equilibrium Candidate Monte Carlo

English

Comparison of Ligand Affinity Ranking Using AutoDock-GPU and MM-GBSA Scores in the D3R Grand Challenge 4

English

Related publications

Heterogeneous Solvation in Distinctive Protein-Protein Interfaces Revealed by Molecular Dynamics Simulations

Biophysical Journal

English

Silver Tarnishing Mechanism Revealed by Molecular Dynamics Simulations

Angewandte Chemie - International Edition

English

Silver Tarnishing Mechanism Revealed by Molecular Dynamics Simulations

Angewandte Chemie

English

The Structure and Dynamics of Chitin Nanofibrils in an Aqueous Environment Revealed by Molecular Dynamics Simulations

Chemical Engineering

English

Structure of Biomolecular Condensates From Dissipative Particle Dynamics Simulations

English

Toolkit for Multi-Conformation Biomolecular Structure Determination by High-Precision FRET and Molecular Simulations

Biophysical Journal

English

Atomistic Details of the Dynein Motor Mechanism Revealed by Molecular Dynamics Simulations

Biophysical Journal

English

The Gating Mechanism of the Bacterial Mechanosensitive Channel MscL Revealed by Molecular Dynamics Simulations

English

A Highly Strained Nuclear Conformation of the Exportin Cse1p Revealed by Molecular Dynamics Simulations

Structural Biology

Molecular Biology

English