Atomic-Resolution Simulations Predict a Transition State for Vesicle Fusion Defined by Contact of a Few Lipid Tails

Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models

(2010) Pär Bjelkmar et al.   Journal of Chemical Theory and Computation

Synaptotagmin-Mediated Bending of the Target Membrane Is a Critical Step in Ca2+-Regulated Fusion

(2009) Enfu Hui et al.   CELL

Single Vesicle Millisecond Fusion Kinetics Reveals Number of SNARE Complexes Optimal for Fast SNARE-mediated Membrane Fusion

(2009) Marta K. Domanska et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

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

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

Functional Analysis of the Transmembrane Domain in Paramyxovirus F Protein-Mediated Membrane Fusion

(2008) Mei Lin Z. Bissonnette et al.   JOURNAL OF MOLECULAR BIOLOGY

Structure of a potentially open state of a proton-activated pentameric ligand-gated ion channel

(2008) Ricarda J. C. Hilf et al.   NATURE

Mechanics of membrane fusion

(2008) Leonid V Chernomordik et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Single-particle kinetics of influenza virus membrane fusion

(2008) D. L. Floyd et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Productive Hemifusion Intermediates in Fast Vesicle Fusion Driven by Neuronal SNAREs

(2007) Tingting Liu et al.   BIOPHYSICAL JOURNAL

P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation

(2007) Berk Hess   Journal of Chemical Theory and Computation