| A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug … AK Ghose, VN Viswanadhan, JJ Wendoloski Journal of combinatorial chemistry 1 (1), 55-68, 1999 | 3166 | 1999 |
| Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and … VN Viswanadhan, AK Ghose, GR Revankar, RK Robins Journal of chemical information and computer sciences 29 (3), 163-172, 1989 | 1551 | 1989 |
| An information-intensive approach to the molecular pharmacology of cancer JN Weinstein, TG Myers, PM O'Connor, SH Friend, AJ Fornace Jr, ... Science 275 (5298), 343-349, 1997 | 1430 | 1997 |
| Prediction of hydrophobic (lipophilic) properties of small organic molecules using fragmental methods: an analysis of ALOGP and CLOGP methods AK Ghose, VN Viswanadhan, JJ Wendoloski The Journal of Physical Chemistry A 102 (21), 3762-3772, 1998 | 934 | 1998 |
| Molecular determinants of vanilloid sensitivity in TRPV1 NR Gavva, L Klionsky, Y Qu, L Shi, R Tamir, S Edenson, TJ Zhang, ... Journal of biological chemistry 279 (19), 20283-20295, 2004 | 437 | 2004 |
| Neural computing in cancer drug development: predicting mechanism of action JN Weinstein, KW Kohn, MR Grever, VN Viswanadhan, LV Rubinstein, ... Science 258 (5081), 447-451, 1992 | 416 | 1992 |
| Potent hFPRL1 (ALXR) agonists as potential anti-inflammatory agents RW Bürli, H Xu, X Zou, K Muller, J Golden, M Frohn, M Adlam, MH Plant, ... Bioorganic & medicinal chemistry letters 16 (14), 3713-3718, 2006 | 159 | 2006 |
| Assessment of methods used for predicting lipophilicity: application to nucleosides and nucleoside bases VN Viswanadhan, MR Reddy, RJ Bacquet, MD Erion Journal of computational chemistry 14 (9), 1019-1026, 1993 | 109 | 1993 |
| Combinatorial Library Design and Evaluation: Principles, Software, Tools, and Applications in Drug Discovery A Ghose, V Viswanadhan CRC Press, 2001 | 88 | 2001 |
| Predictive statistics and artificial intelligence in the US National Cancer Institute's drug discovery program for cancer and AIDS JN Weinstein, T Myers, J Buolamwini, K Raghavan, W Van Osdol, J Licht, ... Stem cells 12 (1), 13-22, 1994 | 81 | 1994 |
| Relative differences in the binding free energies of human immunodeficiency virus 1 protease inhibitors: a thermodynamic cycle-perturbation approach. MR Reddy, VN Viswanadhan, JN Weinstein Proceedings of the National Academy of Sciences 88 (22), 10287-10291, 1991 | 76 | 1991 |
| Could MM-GBSA be accurate enough for calculation of absolute protein/ligand binding free energies? C Mulakala, VN Viswanadhan Journal of Molecular Graphics and Modelling 46, 41-51, 2013 | 74 | 2013 |
| Prediction of solvation free energies of small organic molecules: additive-constitutive models based on molecular fingerprints and atomic constants VN Viswanadhan, AK Ghose, UC Singh, JJ Wendoloski Journal of chemical information and computer sciences 39 (2), 405-412, 1999 | 74 | 1999 |
| Comparison of a neural net-based QSAR algorithm (PCANN) with hologram-and multiple linear regression-based QSAR approaches: application to 1, 4-dihydropyridine-based calcium … VN Viswanadhan, GA Mueller, SC Basak, JN Weinstein Journal of chemical information and computer sciences 41 (3), 505-511, 2001 | 73 | 2001 |
| Calculation of relative differences in the binding free energies of HIV1 protease inhibitors: a thermodynamic cycle perturbation approach MR Reddy, MD Varney, V Kalish, VN Viswanadhan, K Appelt Journal of medicinal chemistry 37 (8), 1145-1152, 1994 | 63 | 1994 |
| Solvation free energies calculated using the GB/SA model: Sensitivity of results on charge sets, protocols, and force fields MR Reddy, MD Erion, A Agarwal, VN Viswanadhan, DQ McDonald, ... Journal of computational chemistry 19 (7), 769-780, 1998 | 57 | 1998 |
| Novel vanilloid receptor-1 antagonists: 1. Conformationally restricted analogues of trans-cinnamides MH Norman, J Zhu, C Fotsch, Y Bo, N Chen, P Chakrabarti, EM Doherty, ... Journal of medicinal chemistry 50 (15), 3497-3514, 2007 | 56 | 2007 |
| Focal adhesion kinase inhibitors in the treatment of metastatic cancer: a patent review E Shanthi, MH Krishna, GM Arunesh, K Venkateswara Reddy, ... Expert opinion on therapeutic patents 24 (10), 1077-1100, 2014 | 54 | 2014 |
| Structure–activity relationships of 3, 4-dihydro-1H-quinazolin-2-one derivatives as potential CDK5 inhibitors RM Rzasa, MR Kaller, G Liu, E Magal, TT Nguyen, TD Osslund, D Powers, ... Bioorganic & medicinal chemistry 15 (20), 6574-6595, 2007 | 53 | 2007 |
| Mapping the binding site of the nucleoside transporter protein: a 3D-QSAR study VN Viswanadhan, AK Ghose, JN Weinstein Biochimica et Biophysica Acta (BBA)-Protein Structure and Molecular …, 1990 | 53 | 1990 |
