Accurate and efficient corrections for missing dispersion interactions in molecular Simulations
Journal Article
Overview
publication date
- November 15, 2007
has subject area
- Biochemical Phenomena - Protein Binding
- Computer Simulation
- Ligands
- Metabolism - Protein Binding
- Models, Chemical
- Peptidylprolyl Isomerase - Tacrolimus Binding Protein 1A
- Receptors, Drug - Tacrolimus Binding Protein 1A
- Receptors, Immunologic - Tacrolimus Binding Protein 1A
- Solvents
- Tacrolimus
- Thermodynamics
Date in CU Experts
- September 4, 2015 2:15 AM
Full Author List
- Shirts MR; Mobley DL; Chodera JD; Pande VS
author count
- 4
citation count
- 160
published in
Other Profiles
International Standard Serial Number (ISSN)
- 1520-6106
Electronic International Standard Serial Number (EISSN)
- 1520-5207
Digital Object Identifier (DOI)
Additional Document Info
start page
- 13052
end page
- 13063
volume
- 111
issue
- 45