Femtochemistry: atomic‐scale dynamics of the chemical bond using ultrafast lasers (Nobel Lecture)

AH Zewail - Angewandte Chemie International Edition, 2000 - Wiley Online Library
Over many millennia, humankind has thought to explore phenomena on an ever shorter time
scale. In this race against time, femtosecond resolution (1 fs= 10− 15 s) is the ultimate …

Dewetting and hydrophobic interaction in physical and biological systems

BJ Berne, JD Weeks, R Zhou - Annual review of physical …, 2009 - annualreviews.org
Hydrophobicity manifests itself differently on large and small length scales. This review
focuses on large-length-scale hydrophobicity, particularly on dewetting at single …

[BUCH][B] Handbook of food science, technology, and engineering

YH Hui - 2006 - books.google.com
Handbook of food science, technology, and engineering Page 1 HANDBOOK of FOOD
SCIENCE, TECHNOLOGY, AND ENGINEERING Volume 4 Edited by YH HUI Associate Editors …

Chemical kinetics and mechanisms of complex systems: A perspective on recent theoretical advances

SJ Klippenstein, VS Pande… - Journal of the American …, 2014 - ACS Publications
This Perspective presents a personal overview of the current status of the theory of chemical
kinetics and mechanisms for complex processes. We attempt to assess the status of the field …

[PDF][PDF] Protein modeling and structure prediction with a reduced representation

A Koliński - Acta Biochimica Polonica, 2004 - biocomp.chem.uw.edu.pl
Abstract< p> Protein modeling could be done on various levels of structural details, from
simplified lattice or continuous representations, through high resolution reduced models …

Effect of pressure on the phase behavior and structure of water confined between nanoscale hydrophobic and hydrophilic plates

N Giovambattista, PJ Rossky, PG Debenedetti - Physical Review E—Statistical …, 2006 - APS
We perform systematic molecular dynamics simulations of water confined between two
nanoscale plates at T= 300 K. We investigate the effect of pressure (− 0.15 GPa⩽ P⩽ 0.2 …

Trp-cage: folding free energy landscape in explicit water

R Zhou - Proceedings of the National Academy of Sciences, 2003 - National Acad Sciences
Trp-cage is a 20-residue miniprotein, which is believed to be the fastest folder known so far.
In this study, the folding free energy landscape of Trp-cage has been explored in explicit …

Atomistic protein folding simulations on the submillisecond time scale using worldwide distributed computing

VS Pande, I Baker, J Chapman… - Biopolymers …, 2003 - Wiley Online Library
Atomistic simulations of protein folding have the potential to be a great complement to
experimental studies, but have been severely limited by the time scales accessible with …

Free energy landscape of protein folding in water: explicit vs. implicit solvent

R Zhou - Proteins: Structure, Function, and Bioinformatics, 2003 - Wiley Online Library
Abstract The Generalized Born (GB) continuum solvent model is arguably the most widely
used implicit solvent model in protein folding and protein structure prediction simulations; …

Crystal structure of hemopexin reveals a novel high-affinity heme site formed between two β-propeller domains

M Paoli, BF Anderson, HM Baker, WT Morgan… - nature structural …, 1999 - nature.com
The ubiquitous use of heme in animals poses severe biological and chemical challenges.
Free heme is toxic to cells and is a potential source of iron for pathogens. For protection …