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Design of reduced point charge models for proteins
Laurence Leherte
,
Daniel P. Vercauteren
Unit of theoretical and structural physico-chemistry
NAmur MEdicine & Drug Innovation Center
Namur Research Institute for Life Sciences
Technological Platform High Performance Computing
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INIS
algorithms
25%
amino acids
50%
atoms
50%
charge density
100%
charges
50%
convergence
25%
design
100%
distribution functions
25%
electron density
75%
implementation
25%
interactions
25%
molecular dynamics method
25%
molecules
25%
point charge
100%
poisson equation
50%
protein structure
25%
proteins
100%
reduction
25%
scalar fields
25%
simulation
25%
trajectories
25%
values
25%
Material Science
Amino Acids
50%
Carrier Concentration
75%
Density
100%
Keyphrases
Charging Parameters
33%
Gradient Value
33%
Local Minima
33%
Ubiquitin System
33%
Engineering
Density Gradient
25%
Local Minimum
25%
Mathematics
Density Field
25%
Scalar Field
25%