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Fragment-based design of small molecule PCSK9 inhibitors using simulated annealing of chemical potential simulations.
PLoS One. 2019 Dec 5;14(12):e0225780. doi: 10.1371/journal.pone.0225780. eCollection 2019.
PLoS One. 2019.
PMID: 31805108
Free PMC article.
BMaps: A Web Application for Fragment-Based Drug Design and Compound Binding Evaluation.
Bryan DR, Kulp JL Jr, Mahapatra MK, Bryan RL, Viswanathan U, Carlisle MN, Kim S, Schutte WD, Clarke KV, Doan TT, Kulp JL 3rd.
Bryan DR, et al.
J Chem Inf Model. 2023 Jul 24;63(14):4229-4236. doi: 10.1021/acs.jcim.3c00209. Epub 2023 Jul 5.
J Chem Inf Model. 2023.
PMID: 37406353
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