Barry J. Grant

LeuT conformational sampling utilizing accelerated molecular dynamics and principal component analysis.

Domain-opening and dynamic coupling in the α-subunit of heterotrimeric G proteins.

sgTarget: a target selection resource for structural genomics.

Bio3d: an R package for the comparative analysis of protein structures.

Multivariate analysis of conserved sequence-structure relationships in kinesins: coupling of the active site and a tubulin-binding sub-domain.

The 2006 automated function prediction meeting.

Mapping the nucleotide and isoform-dependent structural and dynamical features of Ras proteins.

Ras conformational switching: simulating nucleotide-dependent conformational transitions with accelerated molecular dynamics.

Large conformational changes in proteins: signaling and other functions.

The distinct conformational dynamics of K-Ras and H-Ras A59G.

Conformational selection in G-proteins: lessons from Ras and Rho.

Accessing a hidden conformation of the maltose binding protein using accelerated molecular dynamics.

Large-scale conformational changes of Trypanosoma cruzi proline racemase predicted by accelerated molecular dynamics simulation.

Novel allosteric sites on Ras for lead generation.

Induced fit or conformational selection? The role of the semi-closed state in the maltose binding protein.

Electrostatically biased binding of kinesin to microtubules.

Drug hypersensitivity caused by alteration of the MHC-presented self-peptide repertoire.

Identification of potential small molecule binding pockets on Rho family GTPases.

Calcium binding and allosteric signaling mechanisms for the sarcoplasmic reticulum Ca²+ ATPase.

Mapping the structural and dynamical features of kinesin motor domains.

Novel procedure for thermal equilibration in molecular dynamics simulation.

Kinesin-5 allosteric inhibitors uncouple the dynamics of nucleotide, microtubule, and neck-linker binding sites.

Integrating protein structural dynamics and evolutionary analysis with Bio3D.

Enrichment of druggable conformations from apo protein structures using cosolvent-accelerated molecular dynamics.

Mapping the Processivity Determinants of the Kinesin-3 Motor Domain.

Dynamic Coupling and Allosteric Networks in the α Subunit of Heterotrimeric G Proteins.

Rapid Characterization of Allosteric Networks with Ensemble Normal Mode Analysis.

Online interactive analysis of protein structure ensembles with Bio3D-web.

Systems Structural Biology Analysis of Ligand Effects on ERα Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.

Computational and biochemical characterization of two partially overlapping interfaces and multiple weak-affinity K-Ras dimers.

Structural and Molecular Mechanisms of Cytokine-Mediated Endocrine Resistance in Human Breast Cancer Cells.