Comparison of Methods To Reweight from Classical Molecular Simulations to QM/MM Potentials
Journal Article
Overview
publication date
- April 1, 2016
has subject area
- Biochemical Phenomena - Molecular Dynamics Simulation
- Cadmium Compounds
- Carbon - Nanotubes, Carbon
- Computer Simulation - Molecular Dynamics Simulation
- Electromagnetic Phenomena - Electrons
- Elementary Particles - Electrons
- Equipment and Supplies - Quantum Dots
- Models, Chemical
- Models, Molecular - Molecular Dynamics Simulation
- Nanoparticles - Quantum Dots
- Nanotubes - Nanotubes, Carbon
- Quantum Theory
- Selenium Compounds
- Thermodynamics
Date in CU Experts
- March 28, 2016 8:25 AM
Full Author List
- Dybeck EC; Konig G; Brooks BR; Shirts MR
author count
- 4
citation count
- 35
published in
Other Profiles
International Standard Serial Number (ISSN)
- 1549-9618
Electronic International Standard Serial Number (EISSN)
- 1549-9626
Digital Object Identifier (DOI)
Additional Document Info
start page
- 1466
end page
- 1480
volume
- 12
issue
- 4