| Predicting ligand binding to proteins by affinity fingerprinting LM Kauvar, DL Higgins, HO Villar, JR Sportsman, Å Engqvist-Goldstein, ... Chemistry & biology 2 (2), 107-118, 1995 | 254 | 1995 |
| The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution AJ Oakley, ML Bello, A Battistoni, G Ricci, J Rossjohn, HO Villar, ... Journal of molecular biology 274 (1), 84-100, 1997 | 211 | 1997 |
| The general atomic and molecular electronic structure system hondo: version 7.0 M Dupuis, JD Watts, HO Villar, GJB Hurst Computer physics communications 52 (3), 415-425, 1989 | 136 | 1989 |
| Strategies for indirect computer-aided drug design GH Loew, HO Villar, I Alkorta Pharmaceutical research 10, 475-486, 1993 | 132 | 1993 |
| Atom based parametrization for a conformationally dependent hydrophobic index A Kantola, HO Villar, GH Loew Journal of computational chemistry 12 (6), 681-689, 1991 | 108 | 1991 |
| Amino acid preferences at protein binding sites HO Villar, LM Kauvar FEBS letters 349 (1), 125-130, 1994 | 102 | 1994 |
| A novel small molecule that directly sensitizes the insulin receptor in vitro and in vivo VP Manchem, ID Goldfine, RA Kohanski, CP Cristobal, RT Lum, ... Diabetes 50 (4), 824-830, 2001 | 94 | 2001 |
| Molecular models for recognition and activation at the benzodiazepine receptor: a review HO Villar, MF Davies, GH Loew, PA Maguire Life sciences 48 (7), 593-602, 1991 | 90 | 1991 |
| Design, synthesis, and evaluation of latent alkylating agents activated by glutathione S-transferase A Satyam, MD Hocker, KA Kane-Maguire, AS Morgan, HO Villar, ... Journal of medicinal chemistry 39 (8), 1736-1747, 1996 | 89 | 1996 |
| Molecular determinants of benzodiazepine receptor affinities and anticonvulsant activities. HO Villar, ET Uyeno, L Toll, W Polgar, MF Davies, GH Loew Molecular pharmacology 36 (4), 589-600, 1989 | 89 | 1989 |
| Bioactive diversity and screening library selection via affinity fingerprinting SL Dixon, HO Villar Journal of chemical information and computer sciences 38 (6), 1192-1203, 1998 | 83 | 1998 |
| Structure, vibrational spectra, and IR intensities of polyenes from ab initio SCF calculations HO Villar, M Dupuis, JD Watts, GJB Hurst, E Clementi The Journal of chemical physics 88 (2), 1003-1009, 1988 | 82 | 1988 |
| Using NMR for ligand discovery and optimization HO Villar, J Yan, MR Hansen Current opinion in chemical biology 8 (4), 387-391, 2004 | 75 | 2004 |
| Systems-based design of bi-ligand inhibitors of oxidoreductases: Filling the chemical proteomic toolbox DS Sem, B Bertolaet, B Baker, E Chang, AD Costache, S Coutts, Q Dong, ... Chemistry & biology 11 (2), 185-194, 2004 | 62 | 2004 |
| Bond orders and valencies from ab initio wavefunctions: Application to prototypical molecules and to the characterization of solitons in polyenes HO Villar, M Dupuis Chemical physics letters 142 (1-2), 59-66, 1987 | 62 | 1987 |
| Substituted diarylureas as stimulators for Fas-mediated apoptosis L Robinson, HO Villar US Patent 6,525,091, 2003 | 57 | 2003 |
| Chemoproteomics as a basis for post-genomic drug discovery P Beroza, HO Villar, MM Wick, GR Martin Drug discovery today 7 (15), 807-814, 2002 | 57 | 2002 |
| Heteroaryl-aryl ureas as IGF-1 receptor antagonists MR Kozlowski, RT Lum, SR Schow, HO Villar, MM Wick US Patent 6,337,338, 2002 | 53 | 2002 |
| Ab initio study of charged polyenes as charge-carrier models in conducting polymers HO Villar, M Dupuis, E Clementi Physical Review B 37 (5), 2520, 1988 | 49 | 1988 |
| Molecular determinants of non-specific recognition of δ, μ, and κ opioid receptors M Filizola, HO Villar, GH Loew Bioorganic & medicinal chemistry 9 (1), 69-76, 2001 | 47 | 2001 |
