Exploring the Universe of Protein Structures beyond the Protein Data Bank

A Collective Variable for the Efficient Exploration of Protein Beta-Sheet Structures: Application to SH3 and GB1

(2009) Fabio Pietrucci et al.   Journal of Chemical Theory and Computation

Substrate Binding Mechanism of HIV-1 Protease from Explicit-Solvent Atomistic Simulations

(2009) Fabio Pietrucci et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The continuity of protein structure space is an intrinsic property of proteins

(2009) J. Skolnick et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Probing the “Dark Matter” of Protein Fold Space

(2009) William R. Taylor et al.   STRUCTURE

The Protein Folding Problem

(2008) Ken A. Dill et al.   Annual Review of Biophysics

Convergence of folding free energy landscapes via application of enhanced sampling methods in a distributed computing environment

(2008) Xuhui Huang et al.   JOURNAL OF CHEMICAL PHYSICS

Predicting the Effect of a Point Mutation on a Protein Fold: The Villin and Advillin Headpieces and Their Pro62Ala Mutants

(2007) Stefano Piana et al.   JOURNAL OF MOLECULAR BIOLOGY