Validating and improving elastic network models with molecular dynamics simulations

Concerted Interconversion between Ionic Lock Substates of the β2 Adrenergic Receptor Revealed by Microsecond Timescale Molecular Dynamics

(2010) Tod D. Romo et al.   BIOPHYSICAL JOURNAL

A Lipid Pathway for Ligand Binding Is Necessary for a Cannabinoid G Protein-coupled Receptor

(2010) Dow P. Hurst et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Multiscale network model for large protein dynamics

(2010) Hyoseon Jang et al.   JOURNAL OF CHEMICAL PHYSICS

Normal Mode Analysis of Biomolecular Structures: Functional Mechanisms of Membrane Proteins

(2009) Ivet Bahar et al.   CHEMICAL REVIEWS

Approximate normal mode analysis based on vibrational subsystem analysis with high accuracy and efficiency

(2009) Jeffrey Hafner et al.   JOURNAL OF CHEMICAL PHYSICS

Mobile Block Hessian Approach with Adjoined Blocks: An Efficient Approach for the Calculation of Frequencies in Macromolecules

(2009) A. Ghysels et al.   Journal of Chemical Theory and Computation

Protein elastic network models and the ranges of cooperativity

(2009) L. Yang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

Systematic Multiscale Parameterization of Heterogeneous Elastic Network Models of Proteins

(2008) Edward Lyman et al.   BIOPHYSICAL JOURNAL

Vibrational subsystem analysis: A method for probing free energies and correlations in the harmonic limit

(2008) H. Lee Woodcock et al.   JOURNAL OF CHEMICAL PHYSICS

Internal Hydration Increases during Activation of the G-Protein-Coupled Receptor Rhodopsin

(2008) Alan Grossfield et al.   JOURNAL OF MOLECULAR BIOLOGY