Mey Khalili

发表

Computer Simulations of Peptides from the p53 DNA Binding Domain.

D. Wales, M. Khalili, Mey Khalili, 2009, Journal of chemical theory and computation.

Protein-folding dynamics: overview of molecular simulation techniques.

Adam Liwo, Harold A Scheraga, Mey Khalili, 2007, Annual review of physical chemistry.

Modification and optimization of the united-residue (UNRES) potential energy function for canonical simulations. I. Temperature dependence of the effective energy function and tests of the optimization method with single training proteins.

A. Liwo, H. Scheraga, C. Czaplewski, 2007, The journal of physical chemistry. B.

Kinetic studies of folding of the B-domain of staphylococcal protein A with molecular dynamics and a united-residue (UNRES) model of polypeptide chains.

A. Liwo, H. Scheraga, M. Khalili, 2006, Journal of molecular biology.

Molecular dynamics with the united-residue model of polypeptide chains. II. Langevin and Berendsen-bath dynamics and tests on model alpha-helical systems.

A. Liwo, H. Scheraga, M. Khalili, 2005, The journal of physical chemistry. B.

Ab initio simulations of protein-folding pathways by molecular dynamics with the united-residue model of polypeptide chains.

A. Liwo, H. Scheraga, M. Khalili, 2005, Proceedings of the National Academy of Sciences of the United States of America.

The Protein Folding Problem

A. Liwo, H. Scheraga, R. Elber, 2006 .

Molecular dynamics with the united-residue model of polypeptide chains. I. Lagrange equations of motion and tests of numerical stability in the microcanonical mode.

A. Liwo, H. Scheraga, M. Khalili, 2005, The journal of physical chemistry. B.

Symmetrization of the AMBER and CHARMM force fields

David J. Wales, Birgit Strodel, Szilard N. Fejer, 2010, J. Comput. Chem..

A united residue force‐field for calcium–protein interactions

Adam Liwo, Harold A Scheraga, Mey Khalili, 2004, Protein science : a publication of the Protein Society.

Protein-folding dynamics: overview of molecular simulation techniques.

A. Liwo, H. Scheraga, Mey Khalili, 2007, Annual review of physical chemistry.

Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: assessment in two blind tests.

A. Liwo, H. Scheraga, K. Gibson, 2005, Proceedings of the National Academy of Sciences of the United States of America.

Mesoscopic Dynamics with the UNRES Force Field - a Tool for Studying the Kinetics and Thermodynamics of Protein Folding

A. Liwo, H. Scheraga, C. Czaplewski, 2007 .