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OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules.
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OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules.
OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules. J Chem Theory Comput. 2019 Mar 12; 15(3):1863-1874.
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subject areas
Amyloid Precursor Protein Secretases
Aspartic Acid Endopeptidases
Humans
Ligands
Molecular Conformation
Molecular Docking Simulation
Molecular Dynamics Simulation
Protein Binding
Proteins
Quantum Theory
Small Molecule Libraries
Thermodynamics
authors with profiles
Edward D. Harder