Multipolar electrostatics for proteins: Atom-atom electrostatic energies in crambin
Published 2013 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Multipolar electrostatics for proteins: Atom-atom electrostatic energies in crambin
Authors
Keywords
-
Journal
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 35, Issue 5, Pages 343-359
Publisher
Wiley
Online
2013-10-30
DOI
10.1002/jcc.23469
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Multipole-Based Force Fields from ab Initio Interaction Energies and the Need for Jointly Refitting All Intermolecular Parameters
- (2013) Christian Kramer et al. Journal of Chemical Theory and Computation
- Unified approach to multipolar polarisation and charge transfer for ions: microhydrated Na+
- (2013) Matthew J. L. Mills et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- New Insights in Atom-Atom Interactions for Future Drug Design
- (2012) Paul Popelier CURRENT TOPICS IN MEDICINAL CHEMISTRY
- Molecular Dynamics of β-Hairpin Models of Epigenetic Recognition Motifs
- (2012) Xiange Zheng et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Polarisable multipolar electrostatics from the machine learning method Kriging: an application to alanine
- (2012) Matthew J. L. Mills et al. THEORETICAL CHEMISTRY ACCOUNTS
- Transferability of Atomic Multipoles in Amino Acids and Peptides for Various Density Partitions
- (2011) Magdalena Woińska et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Aqueous Imidazole Solutions: A Structural Perspective from Simulations with High-Rank Electrostatic Multipole Moments
- (2011) Steven Y. Liem et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Intramolecular polarisable multipolar electrostatics from the machine learning method Kriging
- (2011) Matthew J.L. Mills et al. Computational and Theoretical Chemistry
- Convergence of the multipole expansion for 1,2 Coulomb interactions: The modified multipole shifting algorithm
- (2010) C. J. F. Solano et al. JOURNAL OF CHEMICAL PHYSICS
- Geometrically faithful homeomorphisms between the electron density and the bare nuclear potential
- (2009) Paul L. A. Popelier et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Dynamically Polarizable Water Potential Based on Multipole Moments Trained by Machine Learning
- (2009) Chris M. Handley et al. Journal of Chemical Theory and Computation
- Optimal construction of a fast and accurate polarisable water potential based on multipole moments trained by machine learning
- (2009) Chris M. Handley et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Properties and 3D Structure of Liquid Water: A Perspective from a High-Rank Multipolar Electrostatic Potential
- (2008) Steven Y. Liem et al. Journal of Chemical Theory and Computation
- Beyond Point Charges: Dynamic Polarization from Neural Net Predicted Multipole Moments
- (2008) Michael G. Darley et al. Journal of Chemical Theory and Computation
- The importance of multipole moments when describing water and hydrated amino acid cluster geometry
- (2008) Majeed Shaik et al. MOLECULAR PHYSICS
- Intermolecular Potentials
- (2008) A. J. Stone SCIENCE
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now