The Mechanism of Allosteric Coupling in Choline Kinase α1 Revealed by the Action of a Rationally Designed Inhibitor

Allostery and the Monod-Wyman-Changeux Model After 50 Years

(2012) Jean-Pierre Changeux   Annual Review of Biophysics

Functional Domain Motions in Proteins on the ∼1–100 ns Timescale: Comparison of Neutron Spin-Echo Spectroscopy of Phosphoglycerate Kinase with Molecular-Dynamics Simulation

(2012) N. Smolin et al.   BIOPHYSICAL JOURNAL

New Insights in Protein Kinase Conformational Dynamics

(2012) Giorgio Saladino et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Design, synthesis, theoretical calculations and biological evaluation of new non-symmetrical choline kinase inhibitors

(2012) Belén Rubio-Ruíz et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

LSD1/CoREST is an allosteric nanoscale clamp regulated by H3-histone-tail molecular recognition

(2012) R. Baron et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structural Basis for Negative Cooperativity in Growth Factor Binding to an EGF Receptor

(2010) Diego Alvarado et al.   CELL

Crystal Structures of Human Choline Kinase Isoforms in Complex with Hemicholinium-3

(2010) Bum Soo Hong et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Conformational Spread as a Mechanism for Cooperativity in the Bacterial Flagellar Switch

(2010) F. Bai et al.   SCIENCE

Optimized Molecular Dynamics Force Fields Applied to the Helix−Coil Transition of Polypeptides

(2009) Robert B. Best et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Selective inhibition of choline kinase simultaneously attenuates MAPK and PI3K/AKT signaling

(2009) A Yalcin et al.   ONCOGENE

Differential Role of Human Choline Kinase α and β Enzymes in Lipid Metabolism: Implications in Cancer Onset and Treatment

(2009) David Gallego-Ortega et al.   PLoS One

Coarse-grained modeling of allosteric regulation in protein receptors

(2009) I. A. Balabin et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Substrate binding modifies the hinge bending characteristics of human 3-phosphoglycerate kinase: A molecular dynamics study

(2009) Zoltan Palmai et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

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

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