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Journal of Computer-Aided Molecular Design|May 1, 1997
A Monte Carlo method for finding important ligand fragments from receptor dataS Burt, C Hutchins, P J ZielinskiJournal of Computer-Aided Molecular Design|May 1, 1997
Is the parallel or antiparallel beta-sheet more stable? A semiempirical studyC Gailer, M FeigelJournal of Computer-Aided Molecular Design|May 1, 1997
Structure-activity relationships of cannabinoids: a joint CoMFA and pseudoreceptor modelling studyS Schmetzer, P Greenidge, K A Kovar, et al.Journal of Computer-Aided Molecular Design|May 1, 1997
A theoretical model for the Gla-TSR-EGF-1 region of the anticoagulant cofactor protein S: from biostructural pathology to species-specific cofactor activityB O Villoutreix, O Teleman, B DahlbäckJournal of Computer-Aided Molecular Design|May 1, 1997
CAMDAS: an automated conformational analysis system using molecular dynamics. Conformational Analyzer with Molecular Dynamics And SamplingH Tsujishita, S HironoJournal of Computer-Aided Molecular Design|August 19, 2022
Covalent docking in CDOCKERYujin Wu, Charles L Brooks IiiJournal of Computer-Aided Molecular Design|August 6, 2022
Des3PI: a fragment-based approach to design cyclic peptides targeting protein-protein interactionsMaxence Delaunay, Tâp Ha-DuongJournal of Computer-Aided Molecular Design|August 7, 2022
Unveiling the G4-PAMAM capacity to bind and protect Ang-(1-7) bioactive peptide by molecular dynamics simulationsL América Chi, Somayeh Asgharpour, José Correa-Basurto, et al.Journal of Computer-Aided Molecular Design|August 21, 2022
FastGrow: on-the-fly growing and its application to DYRK1APatrick Penner, Virginie Martiny, Louis Bellmann, et al.Journal of Computer-Aided Molecular Design|March 17, 2023
MM/GBSA prediction of relative binding affinities of carbonic anhydrase inhibitors: effect of atomic charges and comparison with Autodock4ZnMackenzie Taylor, Junming HoPageof 263