Exploring atomic resolution physiology on a femtosecond to millisecond timescale using molecular dynamics simulations

Principles of conduction and hydrophobic gating in K+ channels

(2010) M. O. Jensen et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Improved side-chain torsion potentials for the Amber ff99SB protein force field

(2010) Kresten Lindorff-Larsen et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

QM/MM Methods for Biomolecular Systems

(2009) Hans Martin Senn et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Long-timescale molecular dynamics simulations of protein structure and function

(2009) John L Klepeis et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Molecular dynamics simulations of membrane channels and transporters

(2009) Fatemeh Khalili-Araghi et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Identification of two distinct inactive conformations of the  2-adrenergic receptor reconciles structural and biochemical observations

(2009) R. O. Dror et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Models and Mechanistic Insight

(2008) Edward N. Pugh et al.   JOURNAL OF GENERAL PHYSIOLOGY

A crystal clear view of the β2-adrenergic receptor

(2008) Robert J Lefkowitz et al.   NATURE BIOTECHNOLOGY

Dynamic control of slow water transport by aquaporin 0: Implications for hydration and junction stability in the eye lens

(2008) M. O. Jensen et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA