File(s) under permanent embargo
Testing the inter-operability of the CHARMM and SPC/Fw force-fields for conformational sampling
journal contribution
posted on 2013-01-01, 00:00 authored by J Desmond, P Rodger, Tiffany WalshTiffany WalshTesting the inter-operability of the CHARMM and SPC/Fw force-fields for conformational sampling
History
Journal
Molecular simulationVolume
40Issue
12Pagination
912 - 921Publisher
Taylor & FrancisLocation
Abingdon, EnglandPublisher DOI
ISSN
0892-7022eISSN
1029-0435Language
engPublication classification
C1 Refereed article in a scholarly journalCopyright notice
2013, Taylor & FrancisUsage metrics
Categories
No categories selectedKeywords
force fieldbiomoleculewaterreplica exchange force fieldreplica exchangeScience & TechnologyPhysical SciencesChemistry, PhysicalPhysics, Atomic, Molecular & ChemicalChemistryPhysicsMOLECULAR-DYNAMICS METHODPARTICLE MESH EWALDDIFFERENT WATER MODELSPOTENTIAL FUNCTIONSCALCIUM-CARBONATEPROTEINSIMULATIONENERGYSOLVATIONHYDRATION
Licence
Exports
RefWorks
BibTeX
Ref. manager
Endnote
DataCite
NLM
DC