Development and validation of force-field parameters for molecular simulations of peptides and proteins containing open-shell residues
- 15 November 1997
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 18 (14) , 1720-1728
- https://doi.org/10.1002/(sici)1096-987x(19971115)18:14<1720::aid-jcc2>3.0.co;2-m
Abstract
No abstract availableKeywords
This publication has 20 references indexed in Scilit:
- Conformational Behavior and Magnetic Properties of Organic Radicals Derived from Amino Acid Residues. The Dipeptide Analog of Glycine RadicalJournal of the American Chemical Society, 1995
- Stabilization of Helixes in Glycine and Alanine Dipeptides in a Reaction Field Model of SolventJournal of the American Chemical Society, 1994
- Protein-tyrosyl radical interactions in photosystem II studied by electron spin resonance and electron nuclear double resonance spectroscopy: comparison with ribonucleotide reductase and in vitro tyrosineBiochemistry, 1992
- Theoretical study of blocked glycine and alanine peptide analogsJournal of the American Chemical Society, 1991
- An ENDOR study of the tyrosyl free radical in ribonucleotide reductase from Escherichia coliJournal of the American Chemical Society, 1989
- The free radical of pyruvate formate‐lyaseEuropean Journal of Biochemistry, 1989
- Ribonucleotide Reductase—a Radical EnzymeScience, 1983
- An ESR study of the acid dissociation of imidogen protons. 1. Linear peptide radicals and related radicalsJournal of the American Chemical Society, 1976
- Electron spin resonance study of liquids during photolysis. XIX. Aliphatic dipeptidesJournal of the American Chemical Society, 1975
- Pulse radiolysis study of cyclic peptides in aqueous solution. Absorption spectrum of the peptide radical -NHCHCO-Journal of the American Chemical Society, 1971