A. Ghose

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Determination of Pharmacophoric Geometry for Collagenase Inhibitors Using a Novel Computational Method and Its Verification Using Molecular Dynamics, NMR, and X-ray Crystallography

A. Ghose, M. Logan, A. Treasurywala, 1995 .

Geometrically feasible binding modes of a flexible ligand molecule at the receptor site

A. Ghose, G. Crippen, Gordon M. Crippen, 1985 .

Atomic physicochemical parameters for three dimensional structure directed quantitative structure‐activity relationships III: Modeling hydrophobic interactions

A. Ghose, G. Crippen, Avis Pritchett, 1988 .

Atomic Physicochemical Parameters for Three‐Dimensional Structure‐Directed Quantitative Structure‐Activity Relationships I. Partition Coefficients as a Measure of Hydrophobicity

A. Ghose, G. Crippen, 1986 .

Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods

A. Ghose, J. Wendoloski, V. Viswanadhan, 1998 .

Use of physicochemical parameters in distance geometry and related three-dimensional quantitative structure-activity relationships: a demonstration using Escherichia coli dihydrofolate reductase inhibitors.

A. Ghose, G. Crippen, 1985, Journal of medicinal chemistry.

A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases.

A. Ghose, J. Wendoloski, V. Viswanadhan, 1999, Journal of combinatorial chemistry.

Knowledge-based chemoinformatic approaches to drug discovery.

A. Ghose, T. Herbertz, J. Salvino, 2006, Drug discovery today.

Pharmacophore Modelling: Methods,Experimental Verification and Applications

Arup K. Ghose, John J. Wendoloski, A. Ghose, 2002 .

THE FUNDAMENTALS OF PHARMACOPHORE MODELING IN COMBINATORIAL CHEMISTRY*

A. Ghose, J. Wendoloski, V. Viswanadhan, 2001, Journal of receptor and signal transduction research.

Knowledge based prediction of ligand binding modes and rational inhibitor design for kinase drug discovery.

Arup K. Ghose, Joseph M. Salvino, A. Ghose, 2008, Journal of medicinal chemistry.

Estimating aqueous solvation and lipophilicity of small organic molecules: A comparative overview of atom/group contribution methods

Arup K. Ghose, John J. Wendoloski, Vellarkad N. Viswanadhan, 2000 .

Technically Extended MultiParameter Optimization (TEMPO): An Advanced Robust Scoring Scheme To Calculate Central Nervous System Druggability and Monitor Lead Optimization.

A. Ghose, R. Hudkins, G. R. Ott, 2017, ACS chemical neuroscience.

Estimating Aqueous Solvation and Lipophilicity of Small Organic Molecules: A Comparative Overview of Atom/Group Contribution Methods

A. Ghose, J. Wendoloski, V. Viswanadhan, 2000 .

Hydroxamate inhibitors of human gelatinase B (92 kDa)

A. Ghose, R. Wahl, B. Tomczuk, 1995 .

Discovery of Clinical Candidate CEP-37440, a Selective Inhibitor of Focal Adhesion Kinase (FAK) and Anaplastic Lymphoma Kinase (ALK).

A. Ghose, P. Dobrzanski, E. Bruckheimer, 2016, Journal of medicinal chemistry.

Hydroxamate inhibitors of the matrix metallo-proteinases (MMPs) containing novel P1′ heteroatom based modifications

A. Ghose, R. Wahl, B. Tomczuk, 1995 .

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 molecular modeling method.

A. Ghose, R. K. Robins, G. R. Revankar, 1989, Proceedings of the National Academy of Sciences of the United States of America.

Discovery of an orally efficacious inhibitor of anaplastic lymphoma kinase.

A. Ghose, B. Ruggeri, K. Wells-Knecht, 2012, Journal of medicinal chemistry.

1,2,3-Thiadiazole substituted pyrazolones as potent KDR/VEGFR-2 kinase inhibitors.

A. Ghose, E. Bacon, J. Mallamo, 2007, Bioorganic & medicinal chemistry letters.

Pyrazolone-based anaplastic lymphoma kinase (ALK) inhibitors: control of selectivity by a benzyloxy group.

A. Ghose, B. Dorsey, T. Angeles, 2011, Bioorganic & medicinal chemistry letters.

Design, synthesis, and anaplastic lymphoma kinase (ALK) inhibitory activity for a novel series of 2,4,8,22-tetraazatetracyclo[14.3.1.1³,⁷.1⁹,¹³]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaene macrocycles.

A. Ghose, K. Wells-Knecht, H. Breslin, 2012, Journal of medicinal chemistry.

Design of 7-amino-6-chloro-3H-imidazo[4,5-b]pyridine scaffold from 5-chloro-2,4-diaminopyrimidine pharmacophore: identification of potent inhibitors of anaplastic lymphoma kinase

A. Ghose, B. Dorsey, T. Angeles, 2012 .

Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions

Gordon M. Crippen, Arup K. Ghose, A. Ghose, 1987, J. Chem. Inf. Comput. Sci..

2,7-disubstituted-pyrrolo[2,1-f][1,2,4]triazines: new variant of an old template and application to the discovery of anaplastic lymphoma kinase (ALK) inhibitors with in vivo antitumor activity.

A. Ghose, B. Ruggeri, D. Gingrich, 2011, Journal of medicinal chemistry.

Molecular orbital study of the ring nitrogen basicity of various dihydrofolate reductase inhibitors

A. Ghose, G. Crippen, 1985 .

Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics

Arup K. Ghose, Vellarkad N. Viswanadhan, Roland K. Robins, 1989, J. Chem. Inf. Comput. Sci..

Synthesis and structure-activity relationships of 1,2,3,4-tetrahydropyrido[2,3-b]pyrazines as potent and selective inhibitors of the anaplastic lymphoma kinase.

A. Ghose, K. L. Milkiewicz, T. Underiner, 2010, Bioorganic & medicinal chemistry.

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 x-ray, proton NMR, and theoretical methods

A. Ghose, S. Larson, R. K. Robins, 1990 .

Conformational searching methods for small molecules. I. Study of the sybyl search method

A. K. Ghose, Adi M. Treasurywala, E. P. Jaeger, 1993, J. Comput. Chem..

Structural Studies of the Novel Antitumor Agents 4-Amino- (Ia) and 4-Methoxy-8-(β-D-ribofuranosylamino)pyrimido(5,4-d)pyrimidines (Ib) and Their α-Anomers (II) Using X-Ray, 1H NMR, and Theoretical Methods

A. Ghose, S. Larson, R. K. Robins, 1990 .

Mapping the binding site of the nucleoside transporter protein: a 3D-OSAR study.

J N Weinstein, A. Ghose, J. Weinstein, 1990, Biochimica et biophysica acta.

ALK mutants in the kinase domain exhibit altered kinase activity and differential sensitivity to small molecule ALK inhibitors.

A. Ghose, B. Ruggeri, J. T. Durkin, 2009, Biochemistry.

Prediction of Solvation Free Energies of Small Organic Molecules: Additive-Constitutive Models Based on Molecular Fingerprints and Atomic Constants

Arup K. Ghose, John J. Wendoloski, Vellarkad N. Viswanadhan, 1999, J. Chem. Inf. Comput. Sci..

Knowledge-Based, Central Nervous System (CNS) Lead Selection and Lead Optimization for CNS Drug Discovery

Arup K. Ghose, Bruce D. Dorsey, A. Ghose, 2011, ACS chemical neuroscience.

Knowledge Based Prediction of Ligand Binding Modes and Rational Inhibitor Design for Kinase Drug Discovery

Arup K. Ghose, Joseph M. Salvino, A. Ghose, 2008 .

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 potent and orally efficacious inhibitor of V-RAF murine sarcoma viral oncogene homologue B1 (BRAF) V600E.

A. Ghose, Brian T. Campbell, Raffaella Faraoni, 2012, Journal of medicinal chemistry.

POSSIBLE ANTINEOPLASTIC AGENTS- PART V. SYNTHESIS OF 6-ALKYL 2-BENZENESULPHONAMIDO-3-PHENYLGLUTARIMIDES

A. Ghose, A. De, 1978 .

POSSIBLE ANTINEOPLASTIC AGENTS- PART IV. SYNTHESIS AND ANTINEOPLASTIC POTENCY Y OF N-SUBSTITUTED α-(4,5-DIMETHOXYPHTHALIMIDO)GLUTARIMIDES AND N-SUBSTITUTED β-(4-BROMOPHENYL)GLUTARIMIDES

A. Ghose, A. De, 1978 .

POSSIBLE ANTINEOPLASTIC AGENTS. III. SYNTHESIS OF 6‐ALKYL‐2‐(4′‐METHOXYPHTHALIMIDO) AND 6‐ALKYL‐3‐(3′‐4′‐DIMETHOXYPHENYL)GLUTARIMIDES

A. Ghose, A. De, 1977 .

Analysis of the in vitro antiviral activity of certain ribonucleosides against parainfluenza virus using a novel computer aided receptor modeling procedure.

G M Crippen, A. Ghose, G. Crippen, 1989, Journal of medicinal chemistry.

General distance geometry three-dimensional receptor model for diverse dihydrofolate reductase inhibitors.

G M Crippen, A. Ghose, G. Crippen, 1984, Journal of medicinal chemistry.

Inhibition of matrix metalloproteinases by hydroxamates containing heteroatom-based modifications of the P1' group.

J. S. Johnson, A. Ghose, B. Tomczuk, 1995, Journal of medicinal chemistry.

An estimation of the atomic contribution to octanol-water partition coefficient and molar refractivity from fundamental atomic and structural properties: Its uses in computer aided drug design

Arup K. Ghose, Vellarkad N. Viswanadhan, Roland K. Robins, 1990 .

Quantitative structure-activity relationship by distance geometry: quinazolines as dihydrofolate reductase inhibitors.

G M Crippen, A. Ghose, G. Crippen, 1982, Journal of medicinal chemistry.

Combinatorial Library Design and Evaluation: Principles, Software, Tools, and Applications in Drug Discovery

Arup K. Ghose, Vellarkad N. Viswanadhan, A. Ghose, 2001 .

A. Ghose, Brian T. Campbell, Raffaella Faraoni, 2012, Journal of medicinal chemistry.

Atomic Physicochemical Parameters for Three‐Dimensional Structure‐Directed Quantitative Structure‐Activity Relationships I. Partition Coefficients as a Measure of Hydrophobicity

A. Ghose, G. Crippen, 1986 .

A. Ghose, K. Wells-Knecht, H. Breslin, 2012, Journal of medicinal chemistry.