D3CARP: a comprehensive platform with multiple-conformation based docking, ligand similarity search and deep learning approaches for target prediction and virtual screening

Author:

Shi Yulong,Zhang Xinben,Yang Yanqing,Cai Tingting,Peng Cheng,Wu Leyun,Zhou Liping,Han Jiaxin,Ma Minfei,Zhu WeiliangORCID,Xu ZhijianORCID

Funder

National Natural Science Foundation of China

National Key Research and Development Program of China

Publisher

Elsevier BV

Subject

Health Informatics,Computer Science Applications

Reference67 articles.

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3. Molecular docking: shifting paradigms in drug discovery;Pinzi;Int. J. Mol. Sci.,2019

4. Rapid identification of potential drug candidates from multi-million compounds' repositories. Combination of 2D similarity search with 3D ligand/structure based methods and in vitro screening;Szilagyi;Molecules,2021

5. Applications of machine learning in drug discovery and development;Vamathevan;Nat. Rev. Drug Discov.,2019

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