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Fragment databases from screened ligands for drug discovery (FDSL-DD).
J Mol Graph Model. 2024 Mar;127:108669. doi: 10.1016/j.jmgm.2023.108669. Epub 2023 Nov 22.
J Mol Graph Model. 2024.
PMID: 38011826
Streamlining Computational Fragment-Based Drug Discovery through Evolutionary Optimization Informed by Ligand-Based Virtual Prescreening.
Chandraghatgi R, Ji HF, Rosen GL, Sokhansanj BA.
Chandraghatgi R, et al.
J Chem Inf Model. 2024 May 13;64(9):3826-3840. doi: 10.1021/acs.jcim.4c00234. Epub 2024 May 2.
J Chem Inf Model. 2024.
PMID: 38696451
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