Kinase-Kernel Models: Accurate In silico Screening of 4 Million Compounds Across the Entire Human Kinome-Reference-Cited by-同舟云学术

Kinase-Kernel Models: Accurate In silico Screening of 4 Million Compounds Across the Entire Human Kinome

Published:2012-01-06 Issue:1 Volume:52 Page:156-170
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Martin Eric¹,Mukherjee Prasenjit¹

Affiliation:

1. Oncology and Exploratory Chemistry, Global Discovery Chemistry, Novartis Institutes for Biomedical Research, 4560 Horton Street, Emeryville, California 94608, United States

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci200314j

Reference25 articles.

1. A Critical Assessment of Docking Programs and Scoring Functions

2. Profile-QSAR: A Novel meta-QSAR Method that Combines Activities across the Kinase Family To Accurately Predict Affinity, Selectivity, and Cellular Activity

3. Surrogate AutoShim: Predocking into a Universal Ensemble Kinase Receptor for Three Dimensional Activity Prediction, Very Quickly, without a Crystal Structure

4. AutoShim: Empirically Corrected Scoring Functions for Quantitative Docking with a Crystal Structure and IC50 Training Data

5. Kinase Inhibitor Data Modeling and de Novo Inhibitor Design with Fragment Approaches

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