Works in Journal of Computer-Aided Molecular Design, 2020, Vol 34, Issue 11
Results: 7
Prediction of ligand binding mode among multiple cross-docking poses by molecular dynamics simulations.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 11, p. 1195, doi. 10.1007/s10822-020-00340-y
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- Article
Benchmarking the performance of MM/PBSA in virtual screening enrichment using the GPCR-Bench dataset.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 11, p. 1133, doi. 10.1007/s10822-020-00339-5
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- Article
Addressing free fatty acid receptor 1 (FFAR1) activation using supervised molecular dynamics.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 11, p. 1181, doi. 10.1007/s10822-020-00338-6
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Monomer structure fingerprints: an extension of the monomer composition version for peptide databases.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 11, p. 1147, doi. 10.1007/s10822-020-00336-8
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- Article
Design and tests of prospective property predictions for novel antimalarial 2-aminopropylaminoquinolones.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 11, p. 1117, doi. 10.1007/s10822-020-00333-x
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- Article
Modeling Epac1 interactions with the allosteric inhibitor AM-001 by co-solvent molecular dynamics.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 11, p. 1171, doi. 10.1007/s10822-020-00332-y
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- Article
Phenylalkylamines in calcium channels: computational analysis of experimental structures.
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- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 11, p. 1157, doi. 10.1007/s10822-020-00330-0
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- Article