Rational modification of protein stability by targeting surface sites leads to complicated results

Protein folding kinetics and thermodynamics from atomistic simulation

(2012) S. Piana et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Large shifts in pKa values of lysine residues buried inside a protein

(2011) D. G. Isom et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Predicting extreme pKa shifts in staphylococcal nuclease mutants with constant pH molecular dynamics

(2011) Evan J. Arthur et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

How Fast-Folding Proteins Fold

(2011) K. Lindorff-Larsen et al.   SCIENCE

A Critical Assessment of Putative Gatekeeper Interactions in the Villin Headpiece Helical Subdomain

(2010) Shifeng Xiao et al.   JOURNAL OF MOLECULAR BIOLOGY

Modulation of Buried Ionizable Groups in Proteins with Engineered Surface Charge

(2010) Angel L. Pey et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Do salt bridges stabilize proteins? A continuum electrostatic analysis

(2010) Zachary S. Hendsch et al.   PROTEIN SCIENCE

Atomic-Level Characterization of the Structural Dynamics of Proteins

(2010) D. E. Shaw et al.   SCIENCE

Protein Ionizable Groups: pKValues and Their Contribution to Protein Stability and Solubility

(2009) C. Nick Pace et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Native like structure in the unfolded state of the villin headpiece helical subdomain, an ultrafast folding protein

(2009) Wenli Meng et al.   PROTEIN SCIENCE

Electrostatic interactions in the denatured state ensemble: Their effect upon protein folding and protein stability

(2007) Jae-Hyun Cho et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Modeling of denatured state for calculation of the electrostatic contribution to protein stability

(2002) Petras J. Kundrotas et al.   PROTEIN SCIENCE