E-Novo: An Automated Workflow for Efficient Structure-Based Lead Optimization-Reference-Cited by-同舟云学术

E-Novo: An Automated Workflow for Efficient Structure-Based Lead Optimization

Published:2009-06-24 Issue:7 Volume:49 Page:1797-1809
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Pearce Bradley C.¹,Langley David R.¹,Kang Jia¹,Huang Hongwei¹,Kulkarni Amit¹

Affiliation:

1. Bristol-Myers Squibb, Computer-Assisted Drug Design, 5 Research Parkway, Wallingford, Connecticut 06492, and Accelrys, 200 Wheeler Road, South Tower, Second Floor, Burlington, Massachusetts 01803

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/ci900073k

Reference57 articles.

1. Rescoring Docking Hit Lists for Model Cavity Sites: Predictions and Experimental Testing

2. Structure-Based de Novo Design, Synthesis, and Biological Evaluation of Non-Azole Inhibitors Specific for Lanosterol 14α-Demethylase of Fungi

3. Molecular recognition at the thrombin active site: structure-based design and synthesis of potent and selective thrombin inhibitors and the X-ray crystal structures of two thrombin-inhibitor complexes

4. Utilising Structural Knowledge in Drug Design Strategies: Applications Using Relibase

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