ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers-Reference-Cited by-同舟云学术

ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers

Published:2010-04-07 Issue:4 Volume:50 Page:534-546
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Watts K. Shawn¹,Dalal Pranav¹,Murphy Robert B.¹,Sherman Woody¹,Friesner Rich A.¹,Shelley John C.¹

Affiliation:

1. Schrödinger, LLC, 101 SW Main Street, Suite 1300, Portland, Oregon 97204 and 120 West 45th Street, 17th Floor, New York, New York 10036, D. E. Shaw India Software Private Limited, Sanali Infopark, 8-2-120/113, Road No. 2, Banjara Hills, Hyderabad 500 034, Andhra Pradesh, India, and Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027

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/ci100015j

Reference67 articles.

1. Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy

2. Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening

3. Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure

4. PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results

Cited by 380 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Development of 4′-Oxo-MLN4924 as potential neddylation inhibitors: Design, synthesis, anti-HCMV evaluation, and molecular docking;Results in Chemistry;2024-10

2. Caught between a ROCK and a hard place: current challenges in structure-based drug design;Drug Discovery Today;2024-09

3. Computer-aided design, synthesis, and biological evaluation of 4-chloro-N-(2-oxo-3-(2-pyridin-4-yl)hydrazineylidene)indolin-5yl)benzamide and 1-(4-bromobenzyl)-5-indoline-2,3-dione against SARS-CoV-2 spike/ACE2;The Microbe;2024-09

4. Conformers influence on UV-absorbance of avobenzone;Journal of Photochemistry and Photobiology A: Chemistry;2024-08

5. Identification of Antioxidant Methyl Derivatives of Ortho-Carbonyl Hydroquinones That Reduce Caco-2 Cell Energetic Metabolism and Alpha-Glucosidase Activity;International Journal of Molecular Sciences;2024-07-30