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Harder, Edward
One or more keywords matched the following items that are connected to
Harder, Edward
Item Type
Name
Concept
Thermodynamics
Academic Article
Understanding the dielectric properties of liquid amides from a polarizable force field.
Academic Article
A polarizable force field of dipalmitoylphosphatidylcholine based on the classical Drude model for molecular dynamics simulations of lipids.
Academic Article
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins.
Academic Article
How to deal with multiple binding poses in alchemical relative protein-ligand binding free energy calculations.
Academic Article
OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules.
Academic Article
Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator.
Academic Article
Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field.
Academic Article
Advancing Free-Energy Calculations of Metalloenzymes in Drug Discovery via Implementation of LFMM Potentials.
Academic Article
Enhancing Water Sampling in Free Energy Calculations with Grand Canonical Monte Carlo.
Search Criteria
Thermodynamics