The relative helix and hydrogen bond stability in the B domain of protein A as revealed by integrated tempering sampling molecular dynamics simulation

Temperature Dependence of Hydrogen-Bond Stability in β-Hairpin Structures

(2010) Qiang Shao et al.   Journal of Chemical Theory and Computation

Balance between α and β Structures in Ab Initio Protein Folding

(2010) Robert B. Best et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Melting of a β-Hairpin Peptide Using Isotope-Edited 2D IR Spectroscopy and Simulations

(2010) Adam W. Smith et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Evidence, from Simulations, of a Single State with Residual Native Structure at the Thermal Denaturation Midpoint of a Small Globular Protein

(2010) Gia G. Maisuradze et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Comparison between integrated and parallel tempering methods in enhanced sampling simulations

(2009) Lijiang Yang et al.   JOURNAL OF CHEMICAL PHYSICS

Optimized Molecular Dynamics Force Fields Applied to the Helix−Coil Transition of Polypeptides

(2009) Robert B. Best et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Folding processes of the B domain of protein A to the native state observed in all-atom ab initio folding simulations

(2008) Hongxing Lei et al.   JOURNAL OF CHEMICAL PHYSICS

An integrate-over-temperature approach for enhanced sampling

(2008) Yi Qin Gao   JOURNAL OF CHEMICAL PHYSICS

Universality and diversity of folding mechanics for three-helix bundle proteins

(2008) J. S. Yang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA