Papers+Conferences

2018
Beglov D, Hall DR, Wakefield AE, Luo L, Allen KN, Kozakov D, Whitty A, Vajda S.  2018.  Exploring the structural origins of cryptic sites on proteins. Proceedings of the National Academy of Sciences. 5428138365835429Chap 2:201711490.
2017
Kozakov D, Hall DR, Xia B, Porter KA, Padhorny D, Yueh C, Beglov D, Vajda S.  2017.  The ClusPro web server for protein–protein docking. Nature Protocols. 12(2):255-278. Download: PDF (4.46 MB)
Vajda S, Yueh C, Beglov D, Bohnuud T, Mottarella SE, Xia B, Hall DR, Kozakov D.  2017.  New additions to the ClusPro server motivated by CAPRI. Proteins: Structure, Function, and Bioinformatics. 85(3):435-444. Download: PDF (248.38 KB)
Yueh C, Hall DR, Xia B, Padhorny D, Kozakov D, Vajda S.  2017.  ClusPro-DC: Dimer Classification by the Cluspro Server for Protein–Protein Docking. Journal of Molecular Biology. 429(3):372-381. Download: PDF (743.59 KB)
2016
2015
Hall DR, Kozakov D, Whitty A, Vajda S.  2015.  Lessons from Hot Spot Analysis for Fragment-Based Drug Discovery.. Trends in Pharmacological Sciences. 36(11):724-36. Download: PDF (2.27 MB)
Kozakov D, Hall DR, Napoleon RL, Yueh C, Whitty A, Vajda S.  2015.  New Frontiers in Druggability. Journal of Medicinal Chemistry. :150811124427009. Download: PDF (9.06 MB)
Kozakov D, Hall DR, Jehle S, Luo L, Ochiana SO, Jones EV, Pollastri M, Allen KN, Whitty A, Vajda S.  2015.  Ligand deconstruction: Why some fragment binding positions are conserved and others are not. Proceedings of the National Academy of Sciences. :201501567. Download: PDF (1003.22 KB)
2014
2013
Kozakov D, Beglov D, Bohnuud T, Mottarella SE, Xia B, Hall DR, Vajda S.  2013.  How good is automated protein docking? Proteins: Structure, Function, and Bioinformatics.  Download: PDF (207.49 KB)
Vajda S, Hall DR, Kozakov D.  2013.  Sampling and scoring: A marriage made in heaven. Proteins: Structure, Function, and Bioinformatics.  Download: PDF (212.68 KB)