Publications

We believe that a quality publication is worth a million words. 

PUBLICATIONS (Recent articles)

  • Technically Extended MultiParameter Optimization (TEMPO): An Advanced Robust Scoring Scheme To Calculate Central Nervous System Druggability and Monitor Lead Optimization, AK Ghose, GR Ott, and RL Hudkins, ACS Chem. Neuroscience, 2017, 8, 147−154.

  • Discovery of Clinical Candidate CEP-37440: A Selective Inhibitor of Focal Adhesion Kinase (FAK) and Anaplastic Lymphoma Kinase (ALK), GR. Ott, M Cheng, KS. Learn, J Wagner, DE. Gingrich, JG  Lisko, M Curry, EF Mesaros,  AK. Ghose, MR. Quail, W Wan, L Lu,  P Dobrzanski,  MS. Albom, TS. Angeles, K Wells-Knecht, Z Huang, LD. Aimone, E Bruckheimer, N Anderson, J Friedman, SV. Fernandez,† MA. Ator, BA. Ruggeri, BD. Dorsey, J. Med. Chem., 2016, 59, 7478–7496.

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PUBLICATIONS (Well cited Articles according to Google Scholar)

According to the Stanford University compilation of most cited scientists (https://doi.org/10.1371/journal.pbio.3000918), Dr. Ghose belongs to the top 2% most cited scientists in the world.

  • A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of kno…, AK Ghose, VN Viswanadhan, JJ Wendoloski, Journal of combinatorial chemistry 1 (1), 55-68, 1999. Citations 3119.

  • Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic an…, VN Viswanadhan, AK Ghose, GR Revankar, RK Robins, Journal of Chemical Information and Computer Sciences 29 (3), 163-172, 1989. Citations 1550.

  • Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic int…, AK Ghose, GM Crippen, Journal of chemical information and computer sciences 27 (1), 21-35, 1987 Citations  958.

  • 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 Citations 931.

    • Atomic physicochemical parameters for three‐dimensional structure‐directed quantitative structure‐activity relationships I. Partition coefficients as a measure of hydr…, AK Ghose, GM Crippen, Journal of computational chemistry 7 (4), 565-577, 1986, Citations  844.

    • Atomic physicochemical parameters for three dimensional structure directed quantitative structure‐activity relationships 3: Modeling hydrophobic interactions, AK Ghose, A Pritchett, GM Crippen, Journal of Computational Chemistry 9 (1), 80-90, 1988 Citations 628.

          • Knowledge-based, central nervous system (CNS) lead selection and lead optimization for CNS drug discovery, AK Ghose, T Herbertz, RL Hudkins, BD Dorsey, JP Mallamo, ACS chemical neuroscience 3 (1), 50-68, 2011 Citations 424.

          • Knowledge based prediction of ligand binding modes and rational inhibitor design for kinase drug discovery, AK Ghose, T Herbertz, DA Pippin, JM Salvino, JP Mallamo, Journal of medicinal chemistry 51 (17), 5149-5171, 2008 Citations 207.

          PUBLICATIONS (Interesting)

          • Structural mimicry of adenosine by the antitumor agents 4-methoxy-and 4-amino-8-(beta-D-ribofuranosylamino) pyrimido [5, 4-d] pyrimidine as viewed by a molecula…, AK Ghose, VN Viswanadhan, YS Sanghvi, LD Nord, RC Willis, …, Proceedings of the National Academy of Sciences 86 (21), 8242-8246, 1989.

          • Determination of pharmacophoric geometry for collagenase inhibitors using a novel computational method and its verification using molecular dynamics, NMR, and…, AK Ghose, ME Logan, AM Treasurywala, H Wang, RC Wahl, BE Tomczuk, …, Journal of the American Chemical Society 117 (16), 4671-4682, 1995.

          • Structural studies of the novel antitumor agents 4-amino-and 4-methoxy-8-(. beta.-D-ribofuranosylamino) pyrimido [5, 4-d] pyrimidines and their. alpha.-anomers using…, AK Ghose, YS Sanghvi, SB Larson, GR Revankar, RK Robins, Journal of the American Chemical Society 112 (9), 3622-3628, 1990.

          • Identification of 1-(3-(6, 7-dimethoxyquinazolin-4-yloxy) phenyl)-3-(5-(1, 1, 1-trifluoro-2-methylpropan-2-yl) isoxazol-3-yl) urea hydrochloride (CEP-32496), a highly p…, MW Rowbottom, R Faraoni, Q Chao, BT Campbell, AG Lai, E Setti, …, Journal of medicinal chemistry 55 (3), 1082-1105, 2012.

          • Knowledge-based chemoinformatic approaches to drug discovery, AK Ghose, T Herbertz, JM Salvino, JP Mallamo, Drug discovery today 11 (23-24), 1107-1114, 2006.

          BOOK

          • Combinatorial Library Design and Evaluation for Drug Discovery:  Principles, Methods, Software Tools and Applications, A.K. Ghose, and V.N. Viswanadhan Eds. Marcel and Dekker, 2001