Related references
Note: Only part of the references are listed.Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model
Marie L. Laury et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2015)
Optimization of an AMBER Force Field for the Artificial Nucleic Acid, LNA, and Benchmarking with NMR of L(CAAU)
David E. Condon et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2014)
Systematic Parametrization of Polarizable Force Fields from Quantum Chemistry Data
Lee-Ping Wang et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Polarizable Atomic Multipole-Based AMOEBA Force Field for Proteins
Yue Shi et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Optimization of the CHARMM Additive Force Field for DNA: Improved Treatment of the BI/BII Conformational Equilibrium
Katarina Hart et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone φ, ψ and Side-Chain χ1 and χ2 Dihedral Angles
Robert B. Best et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Extension of the CHARMM general force field to sulfonyl-containing compounds and its utility in biomolecular simulations
Wenbo Yu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
The ORCA program system
Frank Neese
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)
Development of CHARMM Polarizable Force Field for Nucleic Acid Bases Based on the Classical Drude Oscillator Model
Christopher M. Baker et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Developing ab initio quality force fields from condensed phase quantum-mechanics/molecular-mechanics calculations through the adaptive force matching method
Omololu Akin-Ojo et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
MP2, MP3 and MP4 versus DFT-B3LYP energies and vibrational assignments of near-planar carbamoyl azide and ketene
Hassan M. Badawi
JOURNAL OF MOLECULAR STRUCTURE (2008)
Refinenement of the AMBER force field for nucleic acids:: Improving the description of α/γ conformers
Alberto Perez et al.
BIOPHYSICAL JOURNAL (2007)
Scalable molecular dynamics with NAMD
JC Phillips et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
An improved nucleic acid parameter set for the GROMOS force field
TA Soares et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Temperature and pressure dependence of the AMOEBA water model
PY Ren et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
DFT-B3LYP versus MP2, MP3 and MP4 calculations of the structural stability of azidoketene O=C=CH-NNN
HM Badawi et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2004)
Development and testing of a general amber force field
JM Wang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Effective force fields for condensed phase systems from ab initio molecular dynamics simulation:: A new method for force-matching
S Izvekov et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Polarizable atomic multipole water model for molecular mechanics simulation
PY Ren et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2003)
Share Paper
