Multiple molecule effects on the cooperativity of protein folding transitions in simulations

Effects of tethering a multistate folding protein to a surface

(2011) Shuai Wei et al.   JOURNAL OF CHEMICAL PHYSICS

Synthesis and Electronic Structure Determination ofN-Alkyl-Substituted Bis(imino)pyridine Iron Imides Exhibiting Spin Crossover Behavior

(2011) Amanda C. Bowman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dynamical fingerprints for probing individual relaxation processes in biomolecular dynamics with simulations and kinetic experiments

(2011) F. Noe et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Predicting stability of alpha-helical, orthogonal-bundle proteins on surfaces

(2010) Shuai Wei et al.   JOURNAL OF CHEMICAL PHYSICS

Helix Formation in a Pentapeptide: Experiment and Force-field Dependent Dynamics

(2010) Wendy A. Hegefeld et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Challenges in protein-folding simulations

(2010) Peter L. Freddolino et al.   Nature Physics

Insights from Coarse-Grained Gō Models for Protein Folding and Dynamics

(2009) Ronald Hills et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Protein folding simulations: From coarse-grained model to all-atom model

(2009) Jian Zhang et al.   IUBMB LIFE

Thermal and mechanical multistate folding of ribonuclease H

(2009) Terry J. Schmitt et al.   JOURNAL OF CHEMICAL PHYSICS

Transition path sampling and forward flux sampling. Applications to biological systems

(2009) Fernando A Escobedo et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Polarization effects in molecular mechanical force fields

(2009) Piotr Cieplak et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability: theory and applications

(2009) Pedro E. M. Lopes et al.   THEORETICAL CHEMISTRY ACCOUNTS

An Entropic Perspective of Protein Stability on Surfaces

(2008) Thomas A. Knotts et al.   BIOPHYSICAL JOURNAL

Statistically optimal analysis of samples from multiple equilibrium states

(2008) Michael R. Shirts et al.   JOURNAL OF CHEMICAL PHYSICS

The Role of Solvent Fluctuations in Hydrophobic Assembly†

(2008) Adam P. Willard et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The CATH classification revisited--architectures reviewed and new ways to characterize structural divergence in superfamilies

(2008) A. L. Cuff et al.   NUCLEIC ACIDS RESEARCH

The origins of asymmetry in the folding transition states of protein L and protein G

(2002) John Karanicolas et al.   PROTEIN SCIENCE