Important Considerations
-Please submit no more than 20 jobs at a time

Publications

Jones G, Jindal A, Ghani U, Kotelnikov S, Egbert M, Hashemi N, Vajda S, Padhorny D, Kozakov D. Elucidation of protein function using computational docking and hotspot analysis by ClusPro and FTMap. Acta Crystallogr D Struct Biol. 2022 Jun 1;78(Pt 6):690-697.  doi

Kozakov D, Grove LE, Hall DR, Bohnuud T, Mottarella SE, Luo L, Xia B, Beglov D, Vajda S. The FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins. Nature Protocols. 2015 10(5):733-755;  pdf

Brenke R, Kozakov D, Chuang GY, Beglov D, Hall D, Landon MR, Mattos C, and Vajda S. Fragment-based identification of druggable 'hot spots' of proteins using Fourier domain correlation techniques. Bioinformatics. 2009 Mar 1;  pdf

Kozakov D, Hall DR, Chuang G-Y, Cencic R, Brenke R, Grove LE, Beglov D, Pelletier J, Whitty A, Vajda S. Structural conservation of druggable hot spots in protein-protein interfaces. Proceedings of the National Academy of Sciences. 2011. 108(33):13528-13533; pdf

Bohnuud T, Beglov D, Ngan CH, Zerbe BS, Hall DR, Brenke R, Vajda S, Frank-Kamenetskii MD, Kozakov D. Computational mapping reveals dramatic effect of Hoogsteen breathing on duplex DNA reactivity with formaldehyde. Nucleic Acids Research. 2012. 40(16):7644-7652. pdf

Vajda Lab | ABC Group
Boston University | Stony Brook University