Progressive Docking: A Hybrid QSAR/Docking Approach for Accelerating In Silico High Throughput Screening-Reference-Cited by-同舟云学术

Progressive Docking: A Hybrid QSAR/Docking Approach for Accelerating In Silico High Throughput Screening

Published:2006-11-11 Issue:25 Volume:49 Page:7466-7478
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Cherkasov Artem¹,Ban Fuqiang¹,Li Yvonne¹,Fallahi Magid¹,Hammond Geoffrey L.¹

Affiliation:

1. Canada's Michael Smith Genome Sciences Centre, British Columbia Cancer Agency, 675 West 10th Avenue, Vancouver, British Columbia, V5Z 1L3, Department of Obstetrics and Gynecology, Child and Family Research Institute, University of British Columbia, and Division of Infectious Diseases, Faculty of Medicine, University of British Columbia, Vancouver, British Columbia V5Z 3J5

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm060961%2B

Reference57 articles.

1. A novel approach to the analysis of substituent effects: quantitative description of ionization energies and gas basicity of amines

2. A new approach to the theoretical estimation of inductive constants

3. Correlation analysis in the chemistry of free radicals

4. Three-Dimensional Correlation AnalysisA Novel Approach to the Quantification of Substituent Effects

5. “Inductive” electronegativity scale

Cited by 47 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. Accelerating Molecular Docking using Machine Learning Methods;Molecular Informatics;2024-06

2. Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR;Nature Reviews Drug Discovery;2023-12-08

3. Accelerating molecular docking using machine learning methods;2023-11-08

4. Accelerating molecular docking using machine learning methods;2023-06-28

5. Keeping pace with the explosive growth of chemical libraries with structure‐based virtual screening;WIREs Computational Molecular Science;2023-06-20