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Design of a reduced point charge model for proteins
Laurence Leherte
,
Daniel Vercauteren
Unit of theoretical and structural physico-chemistry
NAmur MEdicine & Drug Innovation Center
Namur Research Institute for Life Sciences
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Dive into the research topics of 'Design of a reduced point charge model for proteins'. Together they form a unique fingerprint.
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Keyphrases
Molecular Electrostatic Potential
100%
Point Charge Model
100%
Amino Acids
50%
All-atom
50%
Density Distribution Function
25%
Electron Density Distribution
25%
Protein Structure
25%
Force Field
25%
Molecular Electrostatic Potential Map
25%
Positive Charge
25%
Negative Charge
25%
Reduced Representation
25%
Solvation Free Energy
25%
Molecular Systems
25%
Poisson Equation
25%
KcsA
25%
Point Charge
25%
Active Field
25%
Amino Acids Models
25%
Baker
25%
Access Code
25%
Charge Centre
25%
Channel Structure
25%
Ion Channel Structure
25%
KcsA Channel
25%
Potassium Channel
25%
INIS
proteins
100%
electrostatics
100%
design
100%
point charge
100%
charges
60%
amino acids
60%
values
40%
atoms
40%
distribution
20%
electron density
20%
distribution functions
20%
maps
20%
usa
20%
protein structure
20%
free energy
20%
evaluation
20%
solvation
20%
potassium ions
20%
poisson equation
20%
Mathematics
Point Charge
100%
Electrostatic Potential
100%
Molecular System
20%
Poisson Equation
20%
Distribution Function
20%
Pharmacology, Toxicology and Pharmaceutical Science
Amino Acid
100%
Potassium Channel
33%
Chemical Engineering
Gibbs Free Energy
100%