Related references
Note: Only part of the references are listed.The R.ED. tools: advances in RESP and ESP charge derivation and force field library building
Francois-Yves Dupradeau et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
Validating CHARMM Parameters and Exploring Charge Distribution Rules in Structure-Based Drug Design
Jennifer L. Knight et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
GLYCAM06: A generalizable Biomolecular force field. Carbohydrates
Karl N. Kirschner et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
REDDB: A database for RESP and ESP atomic charges, and force field libraries
Francois-Yves Dupradeau et al.
NUCLEIC ACIDS RESEARCH (2008)
CHARMM force field parameters for simulation of reactive intermediates in native and thio-substituted ribozymes
Evelyn Mayaan et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
Comparison of multiple amber force fields and development of improved protein backbone parameters
Viktor Hornak et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2006)
The Amber biomolecular simulation programs
DA Case et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations
AD Mackerell et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Development and testing of a general amber force field
JM Wang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation
A Jakalian et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2002)
Restrained electrostatic potential atomic partial charges for condensed-phase simulations of carbohydrates
RJ Woods et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2000)
Share Paper
