Identifying ligand binding sites and poses using GPU-accelerated Hamiltonian replica exchange molecular dynamics
Journal Article
Overview
publication date
- December 1, 2013
has subject area
- Bacteriophages - Bacteriophage T4
- Binding Sites
- Biochemical Phenomena - Molecular Dynamics Simulation
- Biochemical Phenomena - Protein Binding
- Computer Simulation - Molecular Dynamics Simulation
- DNA Viruses - Bacteriophage T4
- Metabolism - Protein Binding
- Models, Molecular
- Models, Molecular - Molecular Dynamics Simulation
- Muramidase
- Protein Conformation
- Solvents
- T-Phages - Bacteriophage T4
- Thermodynamics
has restriction
- green
Date in CU Experts
- September 4, 2015 2:15 AM
Full Author List
- Wang K; Chodera JD; Yang Y; Shirts MR
author count
- 4
citation count
- 94
published in
Other Profiles
International Standard Serial Number (ISSN)
- 0920-654X
Electronic International Standard Serial Number (EISSN)
- 1573-4951
Digital Object Identifier (DOI)
Additional Document Info
start page
- 989
end page
- 1007
volume
- 27
issue
- 12