The IRMA Community
Newsletters
Research IRM
Click a keyword to search titles using our InfoSci-OnDemand powered search:
|
The Comparison of Docking Search Algorithms and Scoring Functions: An Overview and Case Studies
Abstract
This chapter, composed of two parts, firstly provides molecular docking overview and secondly two molecular docking case studies are described. In overview, basic information about molecular docking are presented such as description of search algorithms and scoring functions applied in various docking programs. Brief description of methods utilized in some of the most popular docking programs also applied in our experimental work is provided. AutoDock, CDOCKER, GOLD, FlexX and FRED were used for docking studies of the DC-SIGN protein, while GOLD was further used for docking studies of cathepsin K protein. Methods and results of our studies with their contribution to science and medicine are presented. Content of the chapter is therefore appropriate for public of Medicinal and Organic Chemistry as an overview of docking studies, and also for Computational Chemists at the beginning of their work as the introduction to application of molecular docking programs.
Related Content
|
Abul Kalam Azad, Mohamad Dayoob, Fatema Tuz Zohera.
© 2024.
21 pages.
|
|
W. H. P. A. D. Perera, Mithuni N. Senadeera, Dinusha N. Udukala.
© 2024.
26 pages.
|
|
Thi Van Anh Nguyen, Trang Nguyen Ngoc, Thanh Tung Bui.
© 2024.
43 pages.
|
|
Abul Kalam Azad, Mallari Praveen, Wan Mohd Azizi Bin Wan Sulaiman.
© 2024.
31 pages.
|
|
Bancha Yingngam.
© 2024.
43 pages.
|
|
Babi Lakkoju, Swapna Asuthkar, Gundla Rambabu, Kolli Balakrishna.
© 2024.
20 pages.
|
|
Arthi Gunasekaran, Trisha Sathya, Vijaya Anand Arumugam, Balamuralikrishnan Balasubramanian, Asirvatham Alwin Robert, Arun Meyyazhagan.
© 2024.
31 pages.
|
|
|