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Trainable structure-activity relationship model for virtual screening of CYP3A4 inhibition.
Didziapetris R, Dapkunas J, Sazonovas A, Japertas P. Didziapetris R, et al. Among authors: dapkunas j. J Comput Aided Mol Des. 2010 Nov;24(11):891-906. doi: 10.1007/s10822-010-9381-1. Epub 2010 Sep 1. J Comput Aided Mol Des. 2010. PMID: 20814717
Probabilistic prediction of the human CYP3A4 and CYP2D6 metabolism sites.
Dapkunas J, Sazonovas A, Japertas P. Dapkunas J, et al. Chem Biodivers. 2009 Nov;6(11):2101-6. doi: 10.1002/cbdv.200900078. Chem Biodivers. 2009. PMID: 19937844 Review.
QSAR analysis of blood-brain distribution: the influence of plasma and brain tissue binding.
Lanevskij K, Dapkunas J, Juska L, Japertas P, Didziapetris R. Lanevskij K, et al. Among authors: dapkunas j. J Pharm Sci. 2011 Jun;100(6):2147-60. doi: 10.1002/jps.22442. Epub 2011 Jan 26. J Pharm Sci. 2011. PMID: 21271563
The PPI3D web server for searching, analyzing and modeling protein-protein interactions in the context of 3D structures.
Dapkunas J, Timinskas A, Olechnovic K, Margelevicius M, Diciunas R, Venclovas C. Dapkunas J, et al. Bioinformatics. 2017 Mar 15;33(6):935-937. doi: 10.1093/bioinformatics/btw756. Bioinformatics. 2017. PMID: 28011769
Modeling of protein complexes in CAPRI Round 37 using template-based approach combined with model selection.
Dapkūnas J, Olechnovič K, Venclovas Č. Dapkūnas J, et al. Proteins. 2018 Mar;86 Suppl 1:292-301. doi: 10.1002/prot.25378. Epub 2017 Sep 23. Proteins. 2018. PMID: 28905467
SKEMPI 2.0: an updated benchmark of changes in protein-protein binding energy, kinetics and thermodynamics upon mutation.
Jankauskaite J, Jiménez-García B, Dapkunas J, Fernández-Recio J, Moal IH. Jankauskaite J, et al. Among authors: dapkunas j. Bioinformatics. 2019 Feb 1;35(3):462-469. doi: 10.1093/bioinformatics/bty635. Bioinformatics. 2019. PMID: 30020414 Free PMC article.
Structural modeling of protein complexes: Current capabilities and challenges.
Dapkūnas J, Olechnovič K, Venclovas Č. Dapkūnas J, et al. Proteins. 2019 Dec;87(12):1222-1232. doi: 10.1002/prot.25774. Epub 2019 Jul 22. Proteins. 2019. PMID: 31294859
Inferring the microscopic surface energy of protein-protein interfaces from mutation data.
Moal IH, Dapkūnas J, Fernández-Recio J. Moal IH, et al. Among authors: dapkunas j. Proteins. 2015 Apr;83(4):640-50. doi: 10.1002/prot.24761. Epub 2015 Feb 5. Proteins. 2015. PMID: 25586563
Mapping of Recognition Sites of Monoclonal Antibodies Responsible for the Inhibition of Pneumolysin Functional Activity.
Kucinskaite-Kodze I, Simanavicius M, Dapkunas J, Pleckaityte M, Zvirbliene A. Kucinskaite-Kodze I, et al. Among authors: dapkunas j. Biomolecules. 2020 Jul 8;10(7):1009. doi: 10.3390/biom10071009. Biomolecules. 2020. PMID: 32650398 Free PMC article.
Template-based modeling of diverse protein interactions in CAPRI rounds 38-45.
Dapkūnas J, Kairys V, Olechnovič K, Venclovas Č. Dapkūnas J, et al. Proteins. 2020 Aug;88(8):939-947. doi: 10.1002/prot.25845. Epub 2019 Nov 21. Proteins. 2020. PMID: 31697420
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