Kinase inhibitor recognition by use of a multivariable QSAR model (original) (raw)

A physicochemical descriptor-based scoring scheme for effective and rapid filtering of kinase-like chemical space

Gregory Tawa

Journal of cheminformatics, 2012

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Making Sense of Large-Scale Kinase Inhibitor Bioactivity Data Sets: A Comparative and Integrative Analysis

Sushil Shakyawar

Journal of Chemical Information and Modeling, 2014

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Structure-Based Kinase Profiling To Understand the Polypharmacological Behavior of Therapeutic Molecules

Devawati Dutta

Journal of chemical information and modeling, 2018

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Comparative Assessment of Protein Kinase Inhibitors in Public Databases and in PKIDB

Stéphane Bourg

Molecules

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Predictive Models for Fast and Effective Profiling of Kinase Inhibitors

IOnel Ciucanu

Journal of chemical information and modeling, 2016

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Prediction of Specificity and Cross-Reactivity of Kinase Inhibitors

Nitish Kumar Mishra

Letters in Drug Design & Discovery, 2011

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PKIDB: A Curated, Annotated and Updated Database of Protein Kinase Inhibitors in Clinical Trials

Stéphane Bourg

Molecules (Basel, Switzerland), 2018

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Assessing protein kinase target similarity: Comparing sequence, structure, and cheminformatics approaches

Kazi Md Zahangir Alam

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, 2015

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A Kinase-focused Compound Collection: Compilation and Screening Strategy

Zhan Deng

Chemical Biology & Drug Design, 2006

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A quantitative analysis of kinase inhibitor selectivity

Hitesh Patel

Nature biotechnology, 2008

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

Arup Ghose

ChemInform, 2008

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

Arup Ghose

Journal of Medicinal Chemistry, 2008

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Classification of Kinase Inhibitors Using BCUT Descriptors

Stephen Pickett

Journal of Chemical Information and Computer Sciences, 2000

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Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity

Haiching Ma

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Classification of kinase inhibitors using a Bayesian model

EDWARD MALISKI

2009

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Drug Discovery in the Kinase Inhibitory Field Using the Nested Chemical Library™ Technology

Péter Bánhegyi, Laszlo F Orfi, Csaba Szántai-kis

ASSAY and Drug Development Technologies, 2005

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High-Throughput Kinase Profiling: A More Efficient Approach toward the Discovery of New Kinase Inhibitors

J. Schwaller

Chemistry & Biology, 2011

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Kinase-likeness and Kinase-Privileged Fragments: Toward Virtual Polypharmacology

Mark Murcko

Journal of Medicinal Chemistry, 2008

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Structural Bioinformatics-Based Design of Selective, Irreversible Kinase Inhibitors

Chao Zhang

Science, 2005

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Inverse In Silico Screening for Identification of Kinase Inhibitor Targets

Simon Tietze

Chemistry & Biology, 2007

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Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors

Thea Norman

Science (New York, N.Y.), 1998

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Rapid Structure-Activity and Selectivity Analysis of Kinase Inhibitors by BioMAP Analysis in Complex Human Primary Cell-Based Models

Ivan Plavec

ASSAY and Drug Development Technologies, 2004

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