Mey Khalili

<i>Ab initio</i> simulations of protein-folding pathways by molecular dynamics with the united-residue model of polypeptide chains

Adam Liwo, Mey Khalili, Harold A. Scheraga · Proceedings of the National Academy of Sciences · 2005 · 277 citations · Full text

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

Adam Liwo, Mey Khalili, Cezary Czaplewski et al. · The Journal of Physical Chemistry B · 2006 · 207 citations · Full text

Conformational Entropy, Protein Assembly, Molecular Biology +17

Molecular Dynamics with the United-Residue Model of Polypeptide Chains. II. Langevin and Berendsen-Bath Dynamics and Tests on Model α-Helical Systems

Mey Khalili, Adam Liwo, Anna Jagielska et al. · The Journal of Physical Chemistry B · 2005 · 153 citations · Full text

Molecular Dynamics with the United-Residue Model of Polypeptide Chains. I. Lagrange Equations of Motion and Tests of Numerical Stability in the Microcanonical Mode

Mey Khalili, Adam Liwo, Franciszek Rakowski et al. · The Journal of Physical Chemistry B · 2005 · 122 citations · Full text

Total Energy, Engineering, Force Field +15

Kinetic Studies of Folding of the B-domain of Staphylococcal Protein A with Molecular Dynamics and a United-residue (UNRES) Model of Polypeptide Chains

Mey Khalili, Adam Liwo, Harold A. Scheraga · Journal of Molecular Biology · 2005 · 71 citations

Protein Chemistry, Protein Assembly, Protein Folding +9