Melinda Layten

Improved Efficiency of Replica Exchange Simulations through Use of a Hybrid Explicit/Implicit Solvation Model

Asim Okur, Lauren Wickstrom, Melinda Layten et al. · Journal of Chemical Theory and Computation · 2006 · 148 citations

Chemical Kinetics, Engineering, Computational Chemistry +16

Investigation of Salt Bridge Stability in a Generalized Born Solvent Model

Raphaël Geney, Melinda Layten, Roberto Gomperts et al. · Journal of Chemical Theory and Computation · 2005 · 116 citations

Protein Chemistry, Salt Bridge Formation, Engineering +14

Solution Structure of HIV-1 Protease Flaps Probed by Comparison of Molecular Dynamics Simulation Ensembles and EPR Experiments

Fangyu Ding, Melinda Layten, Carlos Simmerling · Journal of the American Chemical Society · 2008 · 66 citations

The Open Structure of a Multi-Drug-Resistant HIV-1 Protease is Stabilized by Crystal Packing Contacts

Melinda Layten, Viktor Horn̆ák, Carlos Simmerling · Journal of the American Chemical Society · 2006 · 39 citations · Full text

Crystal Structure, Protein Assembly, Biomolecular Structure Prediction +21