LigBuilder 2: A Practical de Novo Drug Design Approach-Reference-Cited by-同舟云学术

LigBuilder 2: A Practical de Novo Drug Design Approach

Published:2011-05-03 Issue:5 Volume:51 Page:1083-1091
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Yuan Yaxia¹²,Pei Jianfeng²,Lai Luhua¹²

Affiliation:

1. BNLMS, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China

2. Center for Theoretical Biology, Academy for Advanced Interdisciplinary Studies, Peking University, Beijing 100871, China

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/ci100350u

Reference36 articles.

1. Automatic creation of drug candidate structures based on receptor structure. Starting point for artificial lead generation.

2. The computer program LUDI: A new method for the de novo design of enzyme inhibitors

3. SPROUT: A program for structure generation

4. HOOK: A program for finding novel molecular architectures that satisfy the chemical and steric requirements of a macromolecule binding site

5. Multiple Highly Diverse Structures Complementary to Enzyme Binding Sites: Results of Extensive Application of a de Novo Design Method Incorporating Combinatorial Growth

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