Molecular dynamics: survey of methods for simulating the activity of proteins SA Adcock, JA McCammon Chemical reviews 106 (5), 1589-1615, 2006 | 1642 | 2006 |
Optimized radii for Poisson− Boltzmann calculations with the AMBER force field JMJ Swanson, SA Adcock, JA McCammon Journal of Chemical Theory and Computation 1 (3), 484-493, 2005 | 109 | 2005 |
Identify drug repurposing candidates by mining the protein data bank F Moriaud, SB Richard, SA Adcock, L Chanas-Martin, JS Surgand, ... Briefings in bioinformatics 12 (4), 336-340, 2011 | 68 | 2011 |
Computational fragment-based approach at PDB scale by protein local similarity F Moriaud, O Doppelt-Azeroual, L Martin, K Oguievetskaia, K Koch, ... Journal of chemical information and modeling 49 (2), 280-294, 2009 | 54 | 2009 |
Genetic algorithm utility library S Adcock URL http://gaul. sourceforge. net, 2009 | 47* | 2009 |
Peptide backbone reconstruction using dead‐end elimination and a knowledge‐based forcefield SA Adcock Journal of computational chemistry 25 (1), 16-27, 2004 | 29 | 2004 |
A review of MED-SuMo applications O Doppelt-Azeroual, F Moriaud, SA Adcock, F Delfaud Infectious disorders-drug targets (Formerly Current drug targets-infectious …, 2009 | 23 | 2009 |
Computational fragment-based drug design to explore the hydrophobic sub-pocket of the mitotic kinesin Eg5 allosteric binding site K Oguievetskaia, L Martin-Chanas, A Vorotyntsev, O Doppelt-Azeroual, ... Journal of computer-aided molecular design 23, 571-582, 2009 | 13 | 2009 |
A computational fragment approach by mining the protein data bank: Library design and bioisosterism F Moriaud, SA Adcock, A Vorotyntsev, O Doppelt-Azeroual, SB Richard, ... Library Design, Search Methods, and Applications of Fragment-Based Drug …, 2011 | 3 | 2011 |
A computational protocol to fragment-based drug design at PDB scale F Moriaud, T Henry, SA Adcock, AM Vorotynsev, L Martin, O Doppelt, ... Chemistry Central Journal 2 (Suppl 1), S6, 2008 | 2 | 2008 |
Mitotic Kinesin Eg5 Inhibitors Generation By Computational MED-Portion Based Drug Design At PDB Scale K Oguievetskaia, L Martin-Chanas, A Vorotyntsev, O Doppelt-Azeroual, ... | 1 | 2009 |
Computer simulation of membrane bound molecules SA Adcock University of Oxford, 2001 | 1 | 2001 |
Computational fragment-based drug design to explore the hydrophobic subpocket of the mitotic kinesin Eg5 allosteric binding site K Oguievetskaia, L Martin-Chanas, A Vorotyntsev, O Doppelt-Azeroual, ... Journal of Cheminformatics 2 (Suppl 1), P29, 2010 | | 2010 |
COMP 20-A fragment-based computational protocol upon PDB to fragment library design, lead discovery and lead optimization F Moriaud, SA Adcock, AM Vorotyntsev, L Martin, O Doppelt, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 236, 2008 | | 2008 |
Thraed: Protein threading using dead-end elimination and a knowledge-based forcefield SA Adcock, JA McCammon PROTEIN SCIENCE 13, 118-119, 2004 | | 2004 |
Reconstruction of Protein Backbones using BB; installation and usage instructions. SA Adcock | | |