Toward structure prediction of cyclic peptides
- 5 December 2014
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Physical Chemistry Chemical Physics
- Vol. 17 (6) , 4210-4219
Abstract
A computational method to provide a converged structural description for cyclic peptides.Keywords
This publication has 80 references indexed in Scilit:
- Cyclic Peptide Inhibitors of HIV-1 Capsid-Human Lysyl-tRNA Synthetase InteractionACS Chemical Biology, 2012
- On-resin N-methylation of cyclic peptides for discovery of orally bioavailable scaffoldsNature Chemical Biology, 2011
- GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular SimulationJournal of Chemical Theory and Computation, 2008
- Reaching for high-hanging fruit in drug discovery at protein–protein interfacesNature, 2007
- Comparison of multiple Amber force fields and development of improved protein backbone parametersProteins: Structure, Function, and Bioinformatics, 2006
- Energy landscape of a small peptide revealed by dihedral angle principal component analysisProteins: Structure, Function, and Bioinformatics, 2004
- UCSF Chimera—A visualization system for exploratory research and analysisJournal of Computational Chemistry, 2004
- A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculationsJournal of Computational Chemistry, 2003
- Replica-exchange molecular dynamics method for protein foldingChemical Physics Letters, 1999
- Essential dynamics of proteinsProteins: Structure, Function, and Bioinformatics, 1993