SEEKR: Simulation Enabled Estimation of Kinetic Rates, a Multiscale Approach for the Calculation of Protein-Ligand Association and Dissociation Kinetics

Biophysical Journal - United States
doi 10.1016/j.bpj.2017.11.281
Full Text
Abstract

Available in full text

Categories
Biophysics
Date
Authors
Publisher

Elsevier BV

Related search

A Multiscale Simulation Approach to Modelling Drug-Protein Binding Kinetics

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2018English

Effects of Electrostatic Interactions on Ligand Dissociation Kinetics

Physical review. E
Nonlinear PhysicsProbabilityStatisticsCondensed Matter PhysicsStatistical
2018English

Estimation of the Dissociation Rate of Unlabelled Ligand-Receptor Complexes by a ‘Two-Step’ Competition Binding Approach

British Journal of Pharmacology
Pharmacology
2010English

Predicting Protein–protein Association Rates Using Coarse-Grained Simulation and Machine Learning

Scientific Reports
Multidisciplinary
2017English

Numerical Calculation of Protein-Ligand Binding Rates Through Solution of the Smoluchowski Equation Using Smoothed Particle Hydrodynamics

BMC Biophysics
Biophysics
2015English

Correction to Calculation of Ligand Dissociation Energies in Large Transition-Metal Complexes

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2019English

Fundamental Aspects of Protein−Protein Association Kinetics

Chemical Reviews
Chemistry
2009English

A Statistical Mechanics Handbook for Protein-Ligand Binding Simulation

Frontiers in Bioscience - Scholar
ImmunologyMolecular BiologyBiochemistryMicrobiology MedicineGenetics
2013English

Numerical Simulation of a Multiscale Cell Motility Model Based on the Kinetic Theory of Active Particles

Symmetry
MathematicsChemistryPhysicsComputer ScienceAstronomy
2019English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2024 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy