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Proteins|November 3, 2007
Factors affecting the use of 13C(alpha) chemical shifts to determine, refine, and validate protein structuresJorge A Vila, Harold A ScheragaBiophysical Journal|May 27, 2008
Use of decoys to optimize an all-atom force field including hydrationYelena A Arnautova, Harold A ScheragaProceedings of the National Academy of Sciences of the United States of America|January 29, 2005
Ab initio simulations of protein-folding pathways by molecular dynamics with the united-residue model of polypeptide chainsAdam Liwo, Mey Khalili, Harold A ScheragaJournal of Computational Chemistry|January 15, 2010
Determination of side-chain-rotamer and side-chain and backbone virtual-bond-stretching potentials of mean force from AM1 energy surfaces of terminally-blocked amino-acid residues, for coarse-grained simulations of protein structure and folding. I. The methodUrszula Kozłowska, Adam Liwo, Harold A ScheragaPhysical Chemistry Chemical Physics : PCCP|June 7, 2011
Coarse-grained force field: general folding theoryAdam Liwo, Yi He, Harold A ScheragaJournal of Chemical Theory and Computation|September 18, 2008
Replica Exchange and Multicanonical Algorithms with the coarse-grained UNRES force fieldMarian Nanias, Cezary Czaplewski, Harold A ScheragaJournal of the American Chemical Society|March 25, 2004
A new method for rapid characterization of the folding pathways of multidisulfide-containing proteinsErvin Welker, Laura Hathaway, Harold A ScheragaThe Journal of Physical Chemistry. B|March 29, 2007
Simple physics-based analytical formulas for the potentials of mean force for the interaction of amino acid side chains in water. 1. Approximate expression for the free energy of hydrophobic association based on a Gaussian-overlap modelMariusz Makowski, Adam Liwo, Harold A ScheragaJournal of Computational Chemistry|April 12, 2002
Energy-based reconstruction of a protein backbone from its alpha-carbon trace by a Monte-Carlo methodRajmund Kaźmierkiewicz, Adam Liwo, Harold A ScheragaBiochemistry|June 11, 2003
Characterizing the unstructured intermediates in oxidative foldingMahesh Narayan, Ervin Welker, Harold A ScheragaPageof 26