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Publications by Emilio Gallicchio
Simulating Replica Exchange: Markov State Models, Proposal Schemes, and the Infinite Swapping Limit
Journal of Physical Chemistry B
Surfaces
Theoretical Chemistry
Materials Chemistry
Films
Medicine
Coatings
Physical
Large Scale Free Energy Calculations for Blind Predictions of Protein–ligand Binding: The D3R Grand Challenge 2015
Journal of Computer-Aided Molecular Design
Theoretical Chemistry
Drug Discovery
Computer Science Applications
Physical
Role of Ligand Reorganization and Conformational Restraints on the Binding Free Energies of DAPY Non-Nucleoside Inhibitors to HIV Reverse Transcriptase
Computational Molecular Bioscience
The Role of Displacing Confined Solvent in the Conformational Equilibrium of Β-Cyclodextrin
The Role of Displacing Confined Solvent in the Conformational Equilibrium of Β-Cyclodextrin
COMPUTER SIMULATIONS WITH EXPLICIT SOLVENT: Recent Progress in the Thermodynamic Decomposition of Free Energies and in Modeling Electrostatic Effects
Annual Review of Physical Chemistry
Theoretical Chemistry
Physical
Integrated Modeling Program, Applied Chemical Theory (IMPACT)
Journal of Computational Chemistry
Computational Mathematics
Chemistry
