Parallelized-over-parts computation of absolute binding free energy with docking and molecular dynamics
Journal Article
Overview
publication date
- August 28, 2006
has subject area
- Biochemical Phenomena - Protein Binding
- Biological Science Disciplines - Biophysics
- Chemistry, Physical
- Computer Simulation
- Environment and Public Health - Cluster Analysis
- Environment and Public Health - Models, Statistical
- Environment and Public Health - Probability
- Health Care Evaluation Mechanisms - Cluster Analysis
- Health Care Evaluation Mechanisms - Models, Statistical
- Health Care Evaluation Mechanisms - Probability
- Humans
- Investigative Techniques - Cluster Analysis
- Investigative Techniques - Models, Statistical
- Investigative Techniques - Probability
- Ligands
- Mathematical Concepts - Probability
- Metabolism - Protein Binding
- Models, Chemical
- Models, Theoretical - Models, Statistical
- Molecular Conformation
- Peptidylprolyl Isomerase - Tacrolimus Binding Protein 1A
- Physics - Biophysics
- Proteins
- Receptors, Drug - Tacrolimus Binding Protein 1A
- Receptors, Immunologic - Tacrolimus Binding Protein 1A
- Thermodynamics
has restriction
- closed
Date in CU Experts
- September 4, 2015 2:15 AM
Full Author List
- Jayachandran G; Shirts MR; Park S; Pande VS
author count
- 4
citation count
- 92
published in
- Journal of Chemical Physics Journal
Other Profiles
International Standard Serial Number (ISSN)
- 0021-9606
Electronic International Standard Serial Number (EISSN)
- 1089-7690
Digital Object Identifier (DOI)
Additional Document Info
volume
- 125
issue
- 8
number
- ARTN 084901