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Publications by E.V. Katkova
Accuracy Comparison of Several Common Implicit Solvent Models and Their Implementations in the Context of Protein-Ligand Binding
Journal of Molecular Graphics and Modelling
Computer Graphics
Theoretical Chemistry
Materials Chemistry
Computer-Aided Design
Spectroscopy
Physical
Genome-Wide Analysis of Genetic Associations for Prediction of Polygenic Hypercholesterolemia With Bayesian Networks
Journal of Computational and Engineering Mathematics
Related publications
Conformational Sampling With Implicit Solvent Models: Application to the PHF6 Peptide in Tau Protein
Biophysical Journal
Biophysics
Absolute Binding Free Energy Calculations: On the Accuracy of Computational Scoring of Protein-Ligand Interactions
Proteins: Structure, Function and Genetics
Biochemistry
Structural Biology
Molecular Biology
Molecular Dynamics Studies of a DNA-binding Protein: 2. An Evaluation of Implicit and Explicit Solvent Models for the Molecular Dynamics Simulation of theEscherichia Coli Trprepressor
Protein Science
Biochemistry
Medicine
Molecular Biology
Comparison of Several Compartment Fire Models :
Coupling Nonpolar and Polar Solvation Free Energies in Implicit Solvent Models
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Calculation of Protein Heat Capacity From Replica-Exchange Molecular Dynamics Simulations With Different Implicit Solvent Models
Journal of Physical Chemistry B
Surfaces
Theoretical Chemistry
Materials Chemistry
Films
Medicine
Coatings
Physical
Tessellation and Clustering by Mixture Models and Their Parallel Implementations
Two Modes of Ligand Binding in Maltose-Binding Protein ofEscherichia Coli
Journal of Biological Chemistry
Biochemistry
Cell Biology
Molecular Biology
Solvent Fluctuations Induce Non-Markovian Kinetics in Hydrophobic Pocket-Ligand Binding