Currently: Assistant Teaching Professor, Division of Biological Sciences, University of California, San Diego
Assist. Professor, University of Michigan
Bioinformatics Specialist, HHMI, USA
Postdoctoral Fellow, UCSD, USA
PhD, University of York, UK
MRes, University of York, UK
BSc, Queens University, Belfast, UK
Dr. Grant's research involves the use of computational approaches, based on both biophysics and bioinformatics, to study the structure, function and evolution of biological macromolecules.
He is particularly interested in nature’s nanomachines: molecular motors and switches, which lie at the heart of biological processes, from the division and growth of cells to the muscular movement of organisms. A major portion of our research is focused on deciphering how these fascinating proteins work, and how to manipulate them for industrial and medical advantage.
Specific areas of expertise include: Application of advanced molecular simulation techniques including molecular dynamics, Brownian dynamics and normal mode analysis to probe the structure, dynamics, interactions and thermodynamics of proteins and their complexes; Development and application of bioinformatics methods for the analysis of protein sequence-structure-function relationships; Virtual screening, structure-based drug design, cheminformatics and molecular modeling supporting drug discovery and design; Exploring data resulting from molecular simulations, bioinformatic analysis and drug discovery projects using multivariate statistical methods.
Scarabelli, Soppina, Yao, Atherton, Moores, Verhey, Barry J. Grant. Mapping the processivity determinants of the kinesin-3 motor domain. Biophysical Journal. 2015 (in press)
Skjærven, Yao, Scarabelli, Barry J. Grant. Integrating protein structural dynamics and evolutionary analysis with Bio3D. BMC Bioinformatics. 2015 15, 399
Kalenkiewicz, Grant, Yang. Enrichment of druggable conformations from apo protein structures using cosolvent-accelerated molecular dynamics. Biology. 2015 4, 344-366
Guido Scarabelli; Barry J. Grant. Kinesin-5 allosteric inhibitors uncouple the dynamics of nucleotide, microtubule and neck-linker binding sites. Biophysical Journal. 2014; 107, 2204–2213
Guido Scarabelli; Barry J. Grant. Mapping the Structural and Dynamical Features of Kinesin Motor Domains. PLoS Computational Biology. 2013;9(11).
Xin-Qiu Yao; Barry J. Grant. Domain-opening and dynamic coupling in the α-subunit of heterotrimeric G proteins. Biophysical Journal. 2013;105(2):L08-L10.
Ortiz Sanchez, Nichols, Sayyah, Heller Brown, McCammon, Barry J. Grant. Identification of potential small molecule binding pockets on Rho family GTPases. PLoS One 2012 7, e40809
Peter M. Kekenes-Huskey; Vincent T. Metzger; Barry J. Grant; J. Andrew McCammon. Calcium binding and allosteric signaling mechanisms for the sarcoplasmic reticulum Ca2+ ATPase. Protein Science. 2012;21(10):1429-1443.
Ostrov, Grant, Pompeu, Sidney, Harndahl, Southwood, Oseroff, Lu, Jakoncic, de Oliveira, Yang, Mei, Shi, Shabanowitz, English, Wriston, Lucas, Phillips, Mallal, Grey, Sette, Hunt, Buus, Peters. Drug hypersensitivity caused by alteration of the MHC-presented self-peptide repertoire. PNAS. 2012; 109, 9959-64.