The Role of Conserved Waters in Conformational Transitions of Q61H K-ras

Role of Bulk Water in Hydrolysis of the Rhodopsin Chromophore

(2011) Beata Jastrzebska et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

On the Role of Water Models in Quantifying the Binding Free Energy of Highly Conserved Water Molecules in Proteins: The Case of Concanavalin A

(2011) Elisa Fadda et al.   Journal of Chemical Theory and Computation

Simulating water with rigid non-polarizable models: a general perspective

(2011) Carlos Vega et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Novel Allosteric Sites on Ras for Lead Generation

(2011) Barry J. Grant et al.   PLoS One

Adhesive water networks facilitate binding of protein interfaces

(2011) Mazen Ahmad et al.   Nature Communications

Nucleotide Binding Switches the Information Flow in Ras GTPases

(2011) Francesco Raimondi et al.   PLoS Computational Biology

Stabilizing a Weak Binding State for Effectors in the Human Ras Protein by Cyclen Complexes

(2010) Ina C. Rosnizeck et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Conformational Selection in G-Proteins: Lessons from Ras and Rho

(2010) Barry J. Grant et al.   BIOPHYSICAL JOURNAL

Dynamics of Biological Macromolecules: Not a Simple Slaving by Hydration Water

(2010) S. Khodadadi et al.   BIOPHYSICAL JOURNAL

Activating K-Ras mutations outwith ‘hotspot’ codons in sporadic colorectal tumours – implications for personalised cancer medicine

(2010) G Smith et al.   BRITISH JOURNAL OF CANCER

Large conformational changes in proteins: signaling and other functions

(2010) Barry J Grant et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Interfacial thermodynamics of confined water near molecularly rough surfaces

(2010) Jeetain Mittal et al.   FARADAY DISCUSSIONS

Structural Basis for Conformational Dynamics of GTP-bound Ras Protein

(2010) Fumi Shima et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Conformational States of Human Rat Sarcoma (Ras) Protein Complexed with Its Natural Ligand GTP and Their Role for Effector Interaction and GTP Hydrolysis

(2010) Michael Spoerner et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Allosteric Modulation of Ras-GTP Is Linked to Signal Transduction through RAF Kinase

(2010) Greg Buhrman et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Water in the Polar and Nonpolar Cavities of the Protein Interleukin-1β†

(2010) Hao Yin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Allosteric modulation of Ras positions Q61 for a direct role in catalysis

(2010) G. Buhrman et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A “structural” water molecule in the family of fatty acid binding proteins

(2010) Vladimir A. Likić et al.   PROTEIN SCIENCE

Deciphering the Deformation Modes Associated with Function Retention and Specialization in Members of the Ras Superfamily

(2010) Francesco Raimondi et al.   STRUCTURE

The Distinct Conformational Dynamics of K-Ras and H-Ras A59G

(2010) Suryani Lukman et al.   PLoS Computational Biology

Mechanisms of Allostery and Membrane Attachment in Ras GTPases: Implications for Anti-Cancer Drug Discovery

(2009) A. Gorfe   CURRENT MEDICINAL CHEMISTRY

The role of conserved water molecules in the catalytic domain of protein kinases

(2009) James D. R. Knight et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

The Origin of Allosteric Functional Modulation: Multiple Pre-existing Pathways

(2009) Antonio del Sol et al.   STRUCTURE

Ras Conformational Switching: Simulating Nucleotide-Dependent Conformational Transitions with Accelerated Molecular Dynamics

(2009) Barry J. Grant et al.   PLoS Computational Biology

Allostery: Absence of a Change in Shape Does Not Imply that Allostery Is Not at Play

(2008) Chung-Jung Tsai et al.   JOURNAL OF MOLECULAR BIOLOGY

Ras oncogenes: split personalities

(2008) Antoine E. Karnoub et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

Static and dynamic correlations in water at hydrophobic interfaces

(2008) J. Mittal et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A dry ligand-binding cavity in a solvated protein

(2008) J. Qvist et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Mapping the Nucleotide and Isoform-Dependent Structural and Dynamical Features of Ras Proteins

(2008) Alemayehu A. Gorfe et al.   STRUCTURE