Kulp JL Jr - Search Results

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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. Among authors: kulp jl jr. 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

Fragment-based design of small molecule PCSK9 inhibitors using simulated annealing of chemical potential simulations.

Guarnieri F, Kulp JL Jr, Kulp JL 3rd, Cloudsdale IS. Guarnieri F, et al. Among authors: kulp jl jr. PLoS One. 2019 Dec 5;14(12):e0225780. doi: 10.1371/journal.pone.0225780. eCollection 2019. PLoS One. 2019. PMID: 31805108 Free PMC article.

Hot-spot identification on a broad class of proteins and RNA suggest unifying principles of molecular recognition.

Kulp JL 3rd, Cloudsdale IS, Kulp JL Jr, Guarnieri F. Kulp JL 3rd, et al. Among authors: kulp jl jr. PLoS One. 2017 Aug 24;12(8):e0183327. doi: 10.1371/journal.pone.0183327. eCollection 2017. PLoS One. 2017. PMID: 28837642 Free PMC article.

Design, synthesis and biological evaluation of renin inhibitors guided by simulated annealing of chemical potential simulations.

Cloudsdale IS, Dickson JK Jr, Barta TE, Grella BS, Smith ED, Kulp JL 3rd, Guarnieri F, Kulp JL Jr. Cloudsdale IS, et al. Among authors: kulp jl jr. Bioorg Med Chem. 2017 Aug 1;25(15):3947-3963. doi: 10.1016/j.bmc.2017.05.032. Epub 2017 May 19. Bioorg Med Chem. 2017. PMID: 28601508 Free PMC article.

Diverse fragment clustering and water exclusion identify protein hot spots.

Kulp JL 3rd, Kulp JL Jr, Pompliano DL, Guarnieri F. Kulp JL 3rd, et al. Among authors: kulp jl jr. J Am Chem Soc. 2011 Jul 20;133(28):10740-3. doi: 10.1021/ja203929x. Epub 2011 Jun 23. J Am Chem Soc. 2011. PMID: 21682273

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