المؤلفون: Fabrice Moriaud, Ksenia Oguievetskaia, Artem Vorotyntsev, Stewart A. Adcock, Laetitia Martin, Olivia Doppelt-Azeroual, François Delfaud, Kerstin Koch

المصدر: Journal of chemical information and modeling. 49(2)

مصطلحات موضوعية: Models, Molecular, Similarity (geometry), Matching (graph theory), Computer science, General Chemical Engineering, Protein Data Bank (RCSB PDB), Proteins, chemical and pharmacologic phenomena, General Chemistry, Computational biology, Library and Information Sciences, computer.software_genre, Ligands, Small molecule, Peptide Fragments, Computer Science Applications, Set (abstract data type), Fragment (logic), Encoding (memory), Data mining, Binding site, Databases, Protein, computer, Protein Binding

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::85cd8c93f2126be04f2b7e574187722f
https://pubmed.ncbi.nlm.nih.gov/19434830

المؤلفون: François Delfaud, Stewart A. Adcock, Fabrice Moriaud, Olivia Doppelt-Azeroual, Artem Vorotyntsev, Laetitia Martin-Chanas, Alexandre G. de Brevern, Xavier Brotel, Ksenia Oguievetskaia

المساهمون: Molecular Extended Distribution in Information Technology (MEDIT), MEDIT SA, Dynamique des Structures et Interactions des Macromolécules Biologiques (DSIMB), Institut National de la Transfusion Sanguine [Paris] (INTS)-Université Paris Diderot - Paris 7 (UPD7)-Institut National de la Santé et de la Recherche Médicale (INSERM), This work was supported by the Carriocas collaborative proje ct (h ttp://ww w.carriocas.org/) and funded by the French office 'Direction Générale des Entreprises., de Brevern, Alexandre G.

المصدر: Journal of Computer-Aided Molecular Design
Journal of Computer-Aided Molecular Design, Springer Verlag, 2009, 23 (8), pp.571-82. ⟨10.1007/s10822-009-9286-z⟩
Journal of Cheminformatics
Journal of Cheminformatics, Vol 2, Iss Suppl 1, p P29 (2010)

مصطلحات موضوعية: [SDV.BIO]Life Sciences [q-bio]/Biotechnology, Magnetic Resonance Spectroscopy, Protein Data Bank (RCSB PDB), mitotic kinesins, Kinesins, Ligands, 01 natural sciences, 030226 pharmacology & pharmacy, lcsh:Chemistry, 0302 clinical medicine, Drug Discovery, [INFO.INFO-BT]Computer Science [cs]/Biotechnology, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM], 0303 health sciences, [SDV.BIBS] Life Sciences [q-bio]/Quantitative Methods [q-bio.QM], lcsh:T58.5-58.64, lcsh:Information technology, Chemistry, anti-mitotic, Small molecule, Computer Graphics and Computer-Aided Design, fragment-based drug design, [SDV.BIBS]Life Sciences [q-bio]/Quantitative Methods [q-bio.QM], Eg5, Computer Science Applications, 030220 oncology & carcinogenesis, FBDD, Kinesin, Computer-Aided Design, Hydrophobic and Hydrophilic Interactions, PubChem, Allosteric Site, Protein Binding, Stereochemistry, Allosteric regulation, Spindle Apparatus, Biology, Library and Information Sciences, Small Molecule Libraries, 03 medical and health sciences, Structure-Activity Relationship, [SDV.BBM] Life Sciences [q-bio]/Biochemistry, Molecular Biology, Humans, [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology, Binding site, Physical and Theoretical Chemistry, KSP, 030304 developmental biology, 010405 organic chemistry, Ligand, Combinatorial chemistry, 0104 chemical sciences, [SDV.BIO] Life Sciences [q-bio]/Biotechnology, Spindle apparatus, Protein Structure, Tertiary, [INFO.INFO-BT] Computer Science [cs]/Biotechnology, lcsh:QD1-999, Poster Presentation, Helix, [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], Function (biology), Software

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::80ebf68f4cb9e2acb406ae080341c0d0
https://pubmed.ncbi.nlm.nih.gov/19533373