Two-state dynamics of the SH3–SH2 tandem of Abl kinase and the allosteric role of the N-cap

Targeting allosteric regulatory modules in oncoproteins: “Drugging the Undruggable”

(2015)   Oncotarget

Targeting the SH2-Kinase Interface in Bcr-Abl Inhibits Leukemogenesis

(2011) Florian Grebien et al.   CELL

METAGUI. A VMD interface for analyzing metadynamics and molecular dynamics simulations

(2011) Xevi Biarnés et al.   COMPUTER PHYSICS COMMUNICATIONS

Mechanisms of drug resistance in kinases

(2011) Rina Barouch-Bentov et al.   EXPERT OPINION ON INVESTIGATIONAL DRUGS

Molecular Mechanism of Selective Recruitment of Syk Kinases by the Membrane Antigen-Receptor Complex

(2011) Peter J. Bond et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Allosteric Interactions between the Myristate- and ATP-Site of the Abl Kinase

(2011) Roxana E. Iacob et al.   PLoS One

Evidence for an allosteric mechanism of substrate release from membrane-transporter accessory binding proteins

(2011) F. Marinelli et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Dynamic Allostery: Linkers Are Not Merely Flexible

(2011) Buyong Ma et al.   STRUCTURE

Recent Progress of Src SH2 and SH3 Inhibitors as Anticancer Agents

(2010) X.-L. Lu et al.   CURRENT MEDICINAL CHEMISTRY

Targeting Bcr–Abl by combining allosteric with ATP-binding-site inhibitors

(2010) Jianming Zhang et al.   NATURE

Metadynamics convergence law in a multidimensional system

(2010) Yanier Crespo et al.   PHYSICAL REVIEW E

ABL Tyrosine Kinases: Evolution of Function, Regulation, and Specificity

(2010) J. Colicelli   Science Signaling

PLUMED: A portable plugin for free-energy calculations with molecular dynamics

(2009) Massimiliano Bonomi et al.   COMPUTER PHYSICS COMMUNICATIONS

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A Kinetic Model of Trp-Cage Folding from Multiple Biased Molecular Dynamics Simulations

(2009) Fabrizio Marinelli et al.   PLoS Computational Biology

Abl N-Terminal Cap Stabilization of SH3 Domain Dynamics†

(2008) Shugui Chen et al.   BIOCHEMISTRY

Structural Basis for the Recognition of c-Src by Its Inactivator Csk

(2008) Nicholas M. Levinson et al.   CELL

A crucial role in cell spreading for the interaction of Abl PxxP motifs with Crk and Nck adaptors

(2008) S. Antoku et al.   JOURNAL OF CELL SCIENCE

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

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

Structural Characterization of the Active and Inactive States of Src Kinase in Solution by Small-Angle X-ray Scattering

(2007) Pau Bernadó et al.   JOURNAL OF MOLECULAR BIOLOGY