Dominant folding pathways of a peptide chain from ab initio quantum-mechanical simulations

Communications: Ab initio dynamics of rare thermally activated reactions

(2010) S. a Beccara et al.   JOURNAL OF CHEMICAL PHYSICS

Dominant reaction pathways in protein folding: A direct validation against molecular dynamics simulations

(2010) Pietro Faccioli et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Simulation ofab InitioProtein Folding for a Millisecond Folder NTL9(1−39)

(2010) Vincent A. Voelz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Atomic-Level Characterization of the Structural Dynamics of Proteins

(2010) D. E. Shaw et al.   SCIENCE

Dominant reaction pathways in high-dimensional systems

(2009) E. Autieri et al.   JOURNAL OF CHEMICAL PHYSICS

Semiempirical Quantum Chemical PM6 Method Augmented by Dispersion and H-Bonding Correction Terms Reliably Describes Various Types of Noncovalent Complexes

(2009) Jan Řezáč et al.   Journal of Chemical Theory and Computation

Characterization of Protein Folding by Dominant Reaction Pathways

(2008) Pietro Faccioli   JOURNAL OF PHYSICAL CHEMISTRY B