Work

Addition to “Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation”

Year: 2024

Type: article

Source: Journal of Chemical Information and Modeling

DOI: 10.1021/acs.jcim.4c00068

Authors: Shan Sun, Makoto Fushimi, Thomas Rossetti, Navpreet Kaur, Jacob Ferreira, Michael Miller, Jonathan Quast, Joop van den Heuvel, Clemens Steegborn, Lonny R. Levin, Jochen Buck, Robert W. Myers, Stacia Kargman, Nigel Liverton, Peter T. Meinke, David J. Huggins

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: closed

Funders: Male Contraceptive Initiative, Foundation for the National Institutes of Health, Memorial Sloan-Kettering Cancer Center, Takeda Pharmaceutical Company, Rockefeller University, Deutsche Forschungsgemeinschaft

Awards: G105602458, G6997520209, G8612029128, G8877431969, G907862956

OpenAlex ID: W4391137441

FWCI:

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