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2020 – today
- 2024
[j10]Omeir Khan
, George Jones, Maria Lazou, Diane Joseph-McCarthy, Dima Kozakov, Dmitri Beglov, Sandor Vajda:
Expanding FTMap for Fragment-Based Identification of Pharmacophore Regions in Ligand Binding Sites. J. Chem. Inf. Model. 64(6): 2084-2100 (2024)- 2020
- [j9]Amanda E. Wakefield, Christine Yueh, Dmitri Beglov, Marcelo Santos Castilho, Dima Kozakov, György M. Keserü, Adrian Whitty, Sandor Vajda:
Benchmark Sets for Binding Hot Spot Identification in Fragment-Based Ligand Discovery. J. Chem. Inf. Model. 60(12): 6612-6623 (2020)
2010 – 2019
- 2018
- [j8]Dzmitry Padhorny, David R. Hall, Hanieh Mirzaei, Artem B. Mamonov, Mohammad Moghadasi, Andrey Alekseenko, Dmitri Beglov, Dima Kozakov:
Protein-ligand docking using FFT based sampling: D3R case study. J. Comput. Aided Mol. Des. 32(1): 225-230 (2018) - 2017
- [j7]Kathryn A. Porter, Bing Xia, Dmitri Beglov, Tanggis Bohnuud, Nawsad Alam, Ora Schueler-Furman, Dima Kozakov:
ClusPro PeptiDock: efficient global docking of peptide recognition motifs using FFT. Bioinform. 33(20): 3299-3301 (2017) - 2014
- [j6]Scott E. Mottarella, Dmitri Beglov, Natalia Beglova, Matthew A. Nugent, Dima Kozakov, Sandor Vajda:
Docking Server for the Identification of Heparin Binding Sites on Proteins. J. Chem. Inf. Model. 54(7): 2068-2078 (2014) - 2013
- [j5]Laurie E. Grove, David R. Hall, Dmitri Beglov, Sandor Vajda, Dima Kozakov:
FTFlex: accounting for binding site flexibility to improve fragment-based identification of druggable hot spots. Bioinform. 29(9): 1218-1219 (2013) - [c2]Hanieh Mirzaei, Elizabeth A. Villar, Scott E. Mottarella, Dmitri Beglov, Ioannis Ch. Paschalidis, Sandor Vajda, Dima Kozakov, Pirooz Vakili:
Flexible refinement of protein-ligand docking on manifolds. CDC 2013: 1392-1397 - 2012
- [j4]Ryan Brenke, David R. Hall, Gwo-Yu Chuang, Stephen R. Comeau, Tanggis Bohnuud, Dmitri Beglov, Ora Schueler-Furman, Sandor Vajda, Dima Kozakov:
Application of asymmetric statistical potentials to antibody-protein docking. Bioinform. 28(20): 2608-2614 (2012) - [j3]Chi-Ho Ngan, Tanggis Bohnuud, Scott E. Mottarella, Dmitri Beglov, Elizabeth A. Villar, David R. Hall, Dima Kozakov, Sandor Vajda:
FTMAP: extended protein mapping with user-selected probe molecules. Nucleic Acids Res. 40(Web-Server-Issue): 271-275 (2012) - [c1]Hanieh Mirzaei, Dima Kozakov, Dmitri Beglov, Ioannis Ch. Paschalidis, Sandor Vajda, Pirooz Vakili:
A new approach to rigid body minimization with application to molecular docking. CDC 2012: 2983-2988
2000 – 2009
- 2009
- [j2]Ryan Brenke, Dima Kozakov, Gwo-Yu Chuang, Dmitri Beglov, David R. Hall, Melissa R. Landon, Carla Mattos, Sandor Vajda:
Fragment-based identification of druggable 'hot spots' of proteins using Fourier domain correlation techniques. Bioinform. 25(5): 621-627 (2009) - [j1]Melissa R. Landon, Raquel L. Lieberman, Quyen Q. Hoang, Shulin Ju, Jose M. M. Caaveiro, Susan D. Orwig, Dima Kozakov, Ryan Brenke, Gwo-Yu Chuang, Dmitri Beglov, Sandor Vajda, Gregory A. Petsko, Dagmar Ringe:
Detection of ligand binding hot spots on protein surfaces via fragment-based methods: application to DJ-1 and glucocerebrosidase. J. Comput. Aided Mol. Des. 23(8): 491-500 (2009)
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