Toward accurate transferable electrostatic models for polypeptides: A distributed multipole study of blocked amino acid residue charge distributions
- 1 December 1991
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 12 (10) , 1187-1197
- https://doi.org/10.1002/jcc.540121005
Abstract
No abstract availableKeywords
This publication has 43 references indexed in Scilit:
- A Comparison of the CHARMM, AMBER and ECEPP Potentials for Peptides. II. φ-ψ Maps for N-Acetyl Alanine N′-Methyl Amide: Comparisons, Contrasts and Simple Experimental TestsJournal of Biomolecular Structure and Dynamics, 1989
- A Comparison of the CHARMM, AMBER and ECEPP Potentials for Peptides. I. Conformational Predictions for the Tandemly Repeated Peptide (Asn-Ala-Asn-Pro)9Journal of Biomolecular Structure and Dynamics, 1989
- Ab initio pair potentials for the interactions between aliphatic amino acidsJournal of the American Chemical Society, 1987
- An all atom force field for simulations of proteins and nucleic acidsJournal of Computational Chemistry, 1986
- A consistent empirical potential for water–protein interactionsBiopolymers, 1984
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry, 1983
- Analytical potentials from "ab initio" computations for the interaction between biomolecules. 1. Water with amino acidsJournal of the American Chemical Society, 1977
- Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acidsThe Journal of Physical Chemistry, 1975
- Energy functions for peptides and proteins. I. Derivation of a consistent force field including the hydrogen bond from amide crystalsJournal of the American Chemical Society, 1974
- Electronic Population Analysis on LCAO–MO Molecular Wave Functions. IThe Journal of Chemical Physics, 1955