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Proteins|April 4, 2017
Crystal structure analysis, covalent docking, and molecular dynamics calculations reveal a conformational switch in PhaZ7 PHB depolymeraseTahsin F Kellici, Thomas Mavromoustakos, Dieter Jendrossek, et al.Journal of Pharmaceutical and Biomedical Analysis|March 20, 2003
Structural elucidation and conformational properties of the toxin paralysin beta-Ala-TyrIoanna Kyrikou, Simona Golic Grdadolnik, Maria Tatari, et al.Current Issues in Molecular Biology|September 29, 2025
Conformational and Functional Properties of the Bioactive Thiosemicarbazone and Thiocarbohydrazone CompoundsNikitas Georgiou, Ektoras Vasileios Apostolou, Stamatia Vassiliou, et al.Brain Sciences|June 12, 2020
A Journey to the Conformational Analysis of T-Cell Epitope Peptides Involved in Multiple SclerosisCatherine Koukoulitsa, Eleni Chontzopoulou, Sofia Kiriakidi, et al.Journal of Chemical Information and Modeling|February 25, 2012
Molecular modeling on pyrimidine-urea inhibitors of TNF-α production: an integrated approach using a combination of molecular docking, classification techniques, and 3D-QSAR CoMSIAVarnavas D Mouchlis, Georgia Melagraki, Thomas Mavromoustakos, et al.Journal of Pharmaceutical and Biomedical Analysis|November 2, 2005
Structure elucidation and conformational study of V8: a novel synthetic non peptide AT(1) antagonistPanagiotis Zoumpoulakis, Aggeliki Politi, Simona Golic Grdadolnik, et al.Journal of Molecular Graphics & Modelling|September 22, 2010
Development of accurate binding affinity predictions of novel renin inhibitors through molecular docking studiesAggeliki Politi, Serdar Durdagi, Panagiota Moutevelis-Minakakis, et al.The Journal of Physical Chemistry. B|July 19, 2014
Systematic molecular dynamics, MM-PBSA, and ab initio approaches to the saquinavir resistance mechanism in HIV-1 PR due to 11 double and multiple mutationsHaralambos Tzoupis, Georgios Leonis, Aggelos Avramopoulos, et al.Expert Opinion on Drug Discovery|November 21, 2019
Cheminformatics and virtual screening studies of COMT inhibitors as potential Parkinson's disease therapeuticsKalliopi Moschovou, Georgia Melagraki, Thomas Mavromoustakos, et al.Journal of Chemical Information and Modeling|October 29, 2008
3D QSAR/CoMFA and CoMSIA studies on antileukemic steroidal esters coupled with conformationally flexible nitrogen mustardsAgnes Kapou, Nikolas-P Benetis, Serdar Durdagi, et al.Pageof 18