Why is F19Ap53 unable to bind MDM2? Simulations suggest crack propagation modulates binding

Protein Unfolding under Force: Crack Propagation in a Network

(2011) Adam M.R. de Graff et al.   BIOPHYSICAL JOURNAL

Kinetic Recognition of the Retinoblastoma Tumor Suppressor by a Specific Protein Target

(2011) Lucía B. Chemes et al.   JOURNAL OF MOLECULAR BIOLOGY

How Does a Drug Molecule Find Its Target Binding Site?

(2011) Yibing Shan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Intrinsic disorder mediates the diverse regulatory functions of the Cdk inhibitor p21

(2011) Yuefeng Wang et al.   Nature Chemical Biology

Synthesis of all-hydrocarbon stapled α-helical peptides by ring-closing olefin metathesis

(2011) Young-Woo Kim et al.   Nature Protocols

Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations

(2011) I. Buch et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Systematic mutational analysis of an ubiquitin ligase (MDM2)-binding peptide: computational studies

(2011) Yun Liu et al.   THEORETICAL CHEMISTRY ACCOUNTS

The p53-MDM2/MDMX axis – A chemotype perspective

(2011) Kareem Khoury et al.   MedChemComm

The molecular dynamics of MDM2

(2010) Judith Nicholson et al.   CELL CYCLE

Differential binding of p53 and nutlin to MDM2 and MDMX: Computational studies

(2010) Thomas Leonard Joseph et al.   CELL CYCLE

Stapled peptides in the p53 pathway: Computer simulations reveal novel interactions of the staples with the target protein

(2010) Thomas Leonard Joseph et al.   CELL CYCLE

Epstein-Barr virus-encoded EBNA-5 forms trimolecular protein complexes with MDM2 and p53 and inhibits the transactivating function of p53

(2010) Elena Kashuba et al.   INTERNATIONAL JOURNAL OF CANCER

Systematic Mutational Analysis of Peptide Inhibition of the p53–MDM2/MDMX Interactions

(2010) Chong Li et al.   JOURNAL OF MOLECULAR BIOLOGY

Capillarity theory for the fly-casting mechanism

(2010) E. Trizac et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Atomic-Level Characterization of the Structural Dynamics of Proteins

(2010) D. E. Shaw et al.   SCIENCE

p53-based Cancer Therapy

(2010) D. P. Lane et al.   Cold Spring Harbor Perspectives in Biology

Modulation of p53 binding to MDM2: computational studies reveal important roles of Tyr100

(2009) Shubhra Dastidar et al.   BMC BIOINFORMATICS

p53 ubiquitination by Mdm2: A never ending tail?

(2009) Amanda S. Coutts et al.   DNA REPAIR

Kinetic Advantage of Intrinsically Disordered Proteins in Coupled Folding–Binding Process: A Critical Assessment of the “Fly-Casting” Mechanism

(2009) Yongqi Huang et al.   JOURNAL OF MOLECULAR BIOLOGY

Intrinsically Disordered p53 Extreme C-Terminus Binds to S100B(ββ) through “Fly-Casting”

(2009) Jianhan Chen   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular Dynamics Simulation of Phosphorylated KID Post-Translational Modification

(2009) Hai-Feng Chen   PLoS One

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

The rules of disorder or why disorder rules

(2009) Jörg Gsponer et al.   PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY

Forces mediating protein–protein interactions: a computational study of p53 “approaching” MDM2

(2009) Shubhra Ghosh Dastidar et al.   THEORETICAL CHEMISTRY ACCOUNTS

Energy landscape along an enzymatic reaction trajectory: Hinges or cracks?

(2008) Paul Charles Whitford et al.   HFSP Journal

Role of Intrinsic Flexibility in Signal Transduction Mediated by the Cell Cycle Regulator, p27Kip1

(2008) Charles A. Galea et al.   JOURNAL OF MOLECULAR BIOLOGY

Multiple Peptide Conformations Give Rise to Similar Binding Affinities: Molecular Simulations of p53-MDM2

(2008) Shubhra Ghosh Dastidar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Signal transduction via unstructured protein conduits

(2008) A Keith Dunker et al.   Nature Chemical Biology

Intrinsic disorder in scaffold proteins: Getting more from less

(2008) Marc S. Cortese et al.   PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY

Docking analysis of transient complexes: Interaction of ferredoxin-NADP+ reductase with ferredoxin and flavodoxin

(2008) Milagros Medina et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS