标题
Polarization effects in molecular mechanical force fields
作者
关键词
-
出版物
JOURNAL OF PHYSICS-CONDENSED MATTER
Volume 21, Issue 33, Pages 333102
出版商
IOP Publishing
发表日期
2009-07-25
DOI
10.1088/0953-8984/21/33/333102
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- QM/MM Methods for Biomolecular Systems
- (2009) Hans Martin Senn et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Molecular Dynamics Simulations of a DMPC Bilayer Using Nonadditive Interaction Models
- (2009) Joseph E. Davis et al. BIOPHYSICAL JOURNAL
- Charge-transfer in Symmetry-Adapted Perturbation Theory
- (2009) Anthony J. Stone et al. CHEMICAL PHYSICS LETTERS
- Improvement of the NEMO potential by inclusion of intramolecular polarization
- (2009) Asbjørn Holt et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Electric multipole moment fluctuations in polar liquids
- (2009) Joakim Stenhammar et al. JOURNAL OF CHEMICAL PHYSICS
- Calculations of the thermal conductivities of ionic materials by simulation with polarizable interaction potentials
- (2009) Norikazu Ohtori et al. JOURNAL OF CHEMICAL PHYSICS
- Solvent Reorganization Energies in A-DNA, B-DNA, and Rhodamine 6G−DNA Complexes from Molecular Dynamics Simulations with a Polarizable Force Field
- (2009) Egor Vladimirov et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Many-Body Polarization Effects and the Membrane Dipole Potential
- (2009) Edward Harder et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- A polarizable force-field model for quantum-mechanical-molecular-mechanical Hamiltonian using expansion of point charges into orbitals
- (2008) P. K. Biswas et al. JOURNAL OF CHEMICAL PHYSICS
- Effect of solvent polarization on the reorganization energy of electron transfer from molecular dynamics simulations
- (2008) Egor Vladimirov et al. JOURNAL OF CHEMICAL PHYSICS
- Ab initio based polarizable force field parametrization
- (2008) Marco Masia JOURNAL OF CHEMICAL PHYSICS
- Accurate Molecular Polarizabilities Based on Continuum Electrostatics
- (2008) Jean-François Truchon et al. Journal of Chemical Theory and Computation
- Inclusion of the quadrupole moment when describing polarization. The effect of the dipole-quadrupole polarizability
- (2008) Asbjørn Holt et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Combining a polarizable force-field and a coarse-grained polarizable solvent model: Application to long dynamics simulations of bovine pancreatic trypsin inhibitor
- (2008) Michel Masella et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- A multipole-based water potential with implicit polarization for biomolecular simulations
- (2008) T. R. Walsh et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Polarizable empirical force field for nitrogen-containing heteroaromatic compounds based on the classical Drude oscillator
- (2008) Pedro E. M. Lopes et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Force fields including charge transfer and local polarization effects: Application to proteins containing multi/heavy metal ions
- (2008) Dmitri V. Sakharov et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Continuum Polarizable Force Field within the Poisson−Boltzmann Framework
- (2008) Yu-Hong Tan et al. JOURNAL OF PHYSICAL CHEMISTRY B
- The Polarizability of Point-Polarizable Water Models: Density Functional Theory/Molecular Mechanics Results†
- (2008) Bernhard Schropp et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Understanding the Dielectric Properties of Liquid Amides from a Polarizable Force Field
- (2008) Edward Harder et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Calculation of protein-ligand binding free energy by using a polarizable potential
- (2008) D. Jiao et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- The implementation of a fast and accurate QM/MM potential method in Amber
- (2007) Ross C. Walker et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started