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Conformational free energy modelling of druglike molecules by metadynamics in the WHIM space

  1. TitleConformational free energy modelling of druglike molecules by metadynamics in the WHIM space
    Author Spiwok Vojtech SAVCHEM - Chemický ústav SAV Tvaroška Igor 1944 SAVCHEM - Chemický ústav SAV    SCOPUS    RID    ORCID

    Co-authors Hlat-Glembová Katarína Králová Blanka
    Source document Journal of Chemical Information and Modeling. Vol. 52, (2012) p. 804-813
    Languageeng - English
    Document kindrozpis článkov z periodík (rbx)
    CitationsPedebos, C (Pedebos, Conrado); Pol-Fachin, L (Pol-Fachin, Laercio); Verli, H (Verli, Hugo) In: JOURNAL OF NATURAL PRODUCTS Volume: 75 Issue: 6 Pages: 1196-1200
    Sartori, A (Sartori, Andrea); Dell'Amico, L (Dell'Amico, Luca); Battistini, L (Battistini, Lucia); Curti, C (Curti, Claudio); Rivara, S (Rivara, Silvia); Pala, D (Pala, Daniele); Kerry, PS (Kerry, Philip S.); Pelosi, G (Pelosi, Giorgio); Casiraghi, G (Casiraghi, Giovanni); Rassu, G (Rassu, Gloria); Zanardi, F (Zanardi, Franca), In: ORGANIC & BIOMOLECULAR CHEMISTRY Volume: 12 Issue: 10 Pages: 1561-1569
    Ghitti, M., Musco, G., & Spitaleri, A. , In: Protein Conformational Dynamics, Volume 805 of the series Advances in Experimental Medicine and Biology
    CategoryADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted)
    Category of document (from 2022)V3 - Vedecký výstup publikačnej činnosti z časopisu
    Type of documentčlánok
    Year2012
    Registered inWOS
    Registered inSCOPUS
    Registered inCCC
    DOI 10.1021/ci200623n
    article

    article

    rokCCIFIF Q (best)JCR Av Jour IF PercSJRSJR Q (best)CiteScore
    A
    rok vydaniarok metrikyIFIF Q (best)SJRSJR Q (best)
    201220114.675Q11.326Q1
Number of the records: 1  

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