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Structure-based pharmacophore modeling 2. Developing a novel framework for structure-based pharmacophore model generation and selection.
J Mol Graph Model. 2023 Jul;122:108488. doi: 10.1016/j.jmgm.2023.108488. Epub 2023 Apr 18.
J Mol Graph Model. 2023.
PMID: 37121167
Application of computational methods for class A GPCR Ligand discovery.
Szwabowski GL, Baker DL, Parrill AL.
Szwabowski GL, et al.
J Mol Graph Model. 2023 Jun;121:108434. doi: 10.1016/j.jmgm.2023.108434. Epub 2023 Feb 21.
J Mol Graph Model. 2023.
PMID: 36841204
Review.
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Structure-based pharmacophore modeling 1. Automated random pharmacophore model generation.
Szwabowski GL, Cole JA, Baker DL, Parrill AL.
Szwabowski GL, et al.
J Mol Graph Model. 2023 Jun;121:108429. doi: 10.1016/j.jmgm.2023.108429. Epub 2023 Feb 11.
J Mol Graph Model. 2023.
PMID: 36804368
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Benchmarking GPCR homology model template selection in combination with de novo loop generation.
Szwabowski GL, Castleman PN, Sears CK, Wink LH, Cole JA, Baker DL, Parrill AL.
Szwabowski GL, et al.
J Comput Aided Mol Des. 2020 Oct;34(10):1027-1044. doi: 10.1007/s10822-020-00325-x. Epub 2020 Jul 31.
J Comput Aided Mol Des. 2020.
PMID: 32737667
Free PMC article.
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