Consensus scoring for ligand/protein interactions RD Clark, A Strizhev, JM Leonard, JF Blake, JB Matthew Journal of Molecular Graphics and Modelling 20 (4), 281-295, 2002 | 552 | 2002 |
Validating models based on large data sets RD Clark, DG Sprous, JM Leonard Rational approaches to drug design, 475-485, 2001 | 57 | 2001 |
Quadratically convergent calculation of localized molecular orbitals JM Leonard, WL Luken Theoretica chimica acta 62, 107-132, 1982 | 49 | 1982 |
Theoretical predictions of structures and vibrational infrared frequencies. I. Mercaptans and sulfides HF Hameka, SL Emery, GR Famini, JO Jensen, JM Leonard, DJ Reutter Phosphorus, Sulfur, and Silicon and the Related Elements 53 (1-4), 373-388, 1990 | 24 | 1990 |
A User's Guide to the Molecular Modeling, Analysis, and Display-System (MMADS) JM Leonard, GR Famini, ... CRDEC-TR-86039, US Army Chemical Research, Development and Engineering …, 1986 | 23 | 1986 |
Rational Approaches to Drug Design RD Clark, DG Sprous, JM Leonard Holtje, HD, 475, 2001 | 19 | 2001 |
OptiDock: virtual HTS of combinatorial libraries by efficient sampling of binding modes in product space DG Sprous, DR Lowis, JM Leonard, T Heritage, SN Burkett, DS Baker, ... Journal of combinatorial chemistry 6 (4), 530-539, 2004 | 17 | 2004 |
Molecular mechanics parameterization: Bond lengths and angles for nitrogen and phosphorus containing compounds JM Leonard, WP Ashman Journal of computational chemistry 11 (8), 952-957, 1990 | 16 | 1990 |
Calculation of localized molecular orbitals JM Leonard, WL Luken International journal of quantum chemistry 25 (2), 355-365, 1984 | 13 | 1984 |
Auger energies for boron atomic ions based on the saddle-point variational method WL Luken, JM Leonard Physical Review A 28 (2), 532, 1983 | 11 | 1983 |
The effects of biasing torsional mutations in a conformational GA A Strizhev, EJ Abrahamian, S Choi, JM Leonard, PRN Wolohan, RD Clark Journal of chemical information and modeling 46 (4), 1862-1870, 2006 | 8 | 2006 |
Application of the saddle‐point variational method to self‐consistent‐field wave functions WL Luken, JM Leonard, JC Culberson International Journal of Quantum Chemistry 24 (S17), 401-405, 1983 | 8 | 1983 |
Pharmacophore models and comparative molecular field analysis (CoMFA) RD Clark, JM Leonard, A Strizhev Pharmacophore Perception, Development, and Use in Drug Design, 151-169, 2000 | 6 | 2000 |
Blake by Universidade Federal de Minas Gerais on 09/30/11. For personal use only. JF, Matthew JB. 2002. Consensus scoring for ligand/protein interactions RD Clark, A Strizhev, JM Leonard J. Mol. Graph 20, 281-95, 0 | 5 | |
Docking combinatorial libraries efficiently using FLEXX. D Sprous, R Clark, D Lowis, J Leonard, T Heritage ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 222, U388-U388, 2001 | 2 | 2001 |
Chemical application of the saddle point variational method. I. Oxygen 1s vacancy ions of formaldehyde WL Luken, JC Culberson, JM Leonard The Journal of chemical physics 80 (9), 4320-4324, 1984 | 2 | 1984 |
Assessing the quality of virtual screening results for combinatorial libraries. DG Sprous, RD Clark, JM Leonard, TW Heritage ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 224, U344-U344, 2002 | 1 | 2002 |
Comptational methods in fragment-based drug design C Williams, JM Leonard ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 243, 2012 | | 2012 |
Effects of Callosotomy on Nasotemporal Smooth Pursuit in Macaque Monkey: Validating a Cerebral Gaze Asymmetry Mechanism L Tychsen, D Sarezky, J Leonard, P Foeller Investigative Ophthalmology & Visual Science 50 (13), 2874-2874, 2009 | | 2009 |
Good BREEDing, techniques for generating hybrid molecules JM Leonard ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 237, 2009 | | 2009 |