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Current status of the AMOEBA polarizable force field
Jay W. Ponder
, Chuanjie Wu
, Pengyu Ren
, Vijay S. Pande
, John D. Chodera
, Michael J. Schnieders
, Imran Haque
, David L. Mobley
, Daniel S. Lambrecht
, Robert A. Distasio
, Martin Head-Gordon
, Gary N.I. Clark
, Margaret E. Johnson
, Teresa Head-Gordon
Department of Chemistry
Roy and Diana Vagelos Division of Biology & Biomedical Sciences (DBBS)
DBBS - Computational and Systems Biology
DBBS - Biochemistry, Biophysics, and Structural Biology
Research output
:
Contribution to journal
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Article
›
peer-review
1219
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Scopus citations
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Keyphrases
Small Molecules
100%
Amoeba
100%
AMOEBA Force Field
100%
AMOEBA Polarizable Force Field
100%
X-ray Crystallography
50%
Publicly Available
50%
Thermodynamics
50%
Molecular Properties
50%
Drug-like
50%
Tetrapeptide
50%
Conformational Energy
50%
Solvation Free Energy
50%
Protein-ligand Binding
50%
Sulfate Complexes
50%
Ambient Conditions
50%
Polarizable Model
50%
Dynamical Properties
50%
Fixed-charge Model
50%
Aromatic Interactions
50%
Generational Transition
50%
Point Charge Model
50%
Electronic Structure Calculations
50%
Molecular Force Field
50%
Chemistry
Solvation
100%
Molecular Property
100%
Sulfate
100%
Electronic State
100%
Electrostatic Force
100%
X-Ray Crystallography
100%
Alanine
100%
Tetrapeptide
100%
Free Energy
100%
Ligand Binding
100%
Medicine and Dentistry
Alanine
100%
Molecular Property
100%
Sulfate
100%
Protein Ligand
100%
X-Ray Crystallography
100%
Tetrapeptide
100%
Ligand Binding
100%
Material Science
Solvation
100%
Electronic Structure Calculation
100%
X-Ray Crystallography
100%
Alanine
100%
Ligand Binding
100%
Biochemistry, Genetics and Molecular Biology
Small Molecule
100%
Ligand Binding
50%
Static Electricity
50%
X-Ray Crystallography
50%
Sulfate
50%
Protein Ligand
50%
Solvation
50%
Alanine
50%
Tetrapeptide
50%
Pharmacology, Toxicology and Pharmaceutical Science
Alanine
100%
Tetrapeptide
100%
Protein Ligand
100%
Sulfate
100%