AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading O Trott, AJ Olson Journal of computational chemistry 31 (2), 455-461, 2010 | 30231 | 2010 |
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility GM Morris, R Huey, W Lindstrom, MF Sanner, RK Belew, DS Goodsell, ... Journal of computational chemistry 30 (16), 2785-2791, 2009 | 21435 | 2009 |
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function GM Morris, DS Goodsell, RS Halliday, R Huey, WE Hart, RK Belew, ... Journal of computational chemistry 19 (14), 1639-1662, 1998 | 13005 | 1998 |
Small-molecule library screening by docking with PyRx S Dallakyan, AJ Olson Chemical biology: methods and protocols, 243-250, 2015 | 2860 | 2015 |
A semiempirical free energy force field with charge‐based desolvation R Huey, GM Morris, AJ Olson, DS Goodsell Journal of computational chemistry 28 (6), 1145-1152, 2007 | 2508 | 2007 |
Reduced surface: an efficient way to compute molecular surfaces MF Sanner, AJ Olson, JC Spehner Biopolymers 38 (3), 305-320, 1996 | 2468 | 1996 |
Automated docking of flexible ligands: applications of AutoDock DS Goodsell, GM Morris, AJ Olson Journal of molecular recognition 9 (1), 1-5, 1996 | 1981 | 1996 |
Computational protein–ligand docking and virtual drug screening with the AutoDock suite S Forli, R Huey, ME Pique, MF Sanner, DS Goodsell, AJ Olson Nature protocols 11 (5), 905-919, 2016 | 1884 | 2016 |
Automated docking of substrates to proteins by simulated annealing DS Goodsell, AJ Olson Proteins: Structure, Function, and Bioinformatics 8 (3), 195-202, 1990 | 1734 | 1990 |
Distributed automated docking of flexible ligands to proteins: parallel applications of AutoDock 2.4 GM Morris, DS Goodsell, R Huey, AJ Olson Journal of computer-aided molecular design 10, 293-304, 1996 | 1333 | 1996 |
Structural symmetry and protein function DS Goodsell, AJ Olson Annual review of biophysics and biomolecular structure 29 (1), 105-153, 2000 | 1132 | 2000 |
Using autodock for ligand‐receptor docking GM Morris, R Huey, AJ Olson Current protocols in bioinformatics 24 (1), 8.14. 1-8.14. 40, 2008 | 991 | 2008 |
Immunogenic structure of the influenza virus hemagglutinin N Green, H Alexander, A Olson, S Alexander, TM Shinnick, JG Sutcliffe, ... Cell 28 (3), 477-487, 1982 | 936 | 1982 |
Tomato bushy stunt virus at 2.9 Å resolution SC Harrison, AJ Olson, CE Schutt, FK Winkler, G Bricogne Nature 276 (5686), 368-373, 1978 | 894 | 1978 |
Proteome-wide covalent ligand discovery in native biological systems KM Backus, BE Correia, KM Lum, S Forli, BD Horning, GE González-Páez, ... Nature 534 (7608), 570-574, 2016 | 753 | 2016 |
Virtual screening with AutoDock: theory and practice S Cosconati, S Forli, AL Perryman, R Harris, DS Goodsell, AJ Olson Expert opinion on drug discovery 5 (6), 597-607, 2010 | 694 | 2010 |
Inhibitors of HIV-1 protease by using in situ click chemistry M Whiting, J Muldoon, YC Lin, SM Silverman, W Lindstrom, AJ Olson, ... Angewandte Chemie (International Ed. in English) 45 (9), 1435-1439, 2006 | 667 | 2006 |
Automated docking to multiple target structures: incorporation of protein mobility and structural water heterogeneity in AutoDock F Österberg, GM Morris, MF Sanner, AJ Olson, DS Goodsell Proteins: Structure, Function, and Bioinformatics 46 (1), 34-40, 2002 | 627 | 2002 |
Structure, function and properties of antibody binding sites IS Mian, AR Bradwell, AJ Olson Journal of molecular biology 217 (1), 133-151, 1991 | 624 | 1991 |
The reactivity of anti-peptide antibodies is a function of the atomic mobility of sites in a protein JA Tainer, ED Getzoff, H Alexander, RA Houghten, AJ Olson, RA Lerner, ... Nature 312 (5990), 127-134, 1984 | 575 | 1984 |