Visualization of multi-property landscapes for compound selection and optimization Antonio de la Vega de LeónShilva KayasthaJürgen Bajorath OriginalPaper 02 August 2015 Pages: 695 - 705
Molecular dynamics to enhance structure-based virtual screening on cathepsin B Mitja OgrizekSamo TurkJanez Konc OriginalPaper 07 May 2015 Pages: 707 - 712
Ligand- and receptor-based docking with LiBELa Heloisa dos Santos MunizAlessandro S. Nascimento OriginalPaper 04 July 2015 Pages: 713 - 723
Automated computational screening of the thiol reactivity of substituted alkenes Jennifer M. SmithChristopher N. Rowley OriginalPaper 10 July 2015 Pages: 725 - 735
Modeling ligand recognition at the P2Y12 receptor in light of X-ray structural information Silvia PaolettaDavide SabbadinKenneth A. Jacobson OriginalPaper 21 July 2015 Pages: 737 - 756
Vascular endothelial growth factor receptor-2 (VEGFR-2) inhibitors: development and validation of predictive 3-D QSAR models through extensive ligand- and structure-based approaches Rino RagnoFlavio BallanteGilbert Kirsch OriginalPaper 21 July 2015 Pages: 757 - 776