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Selection of In Silico Drug Screening Results by Using Universal Active Probes (UAPs)FUKUNISHI, Yoshifumi; OHNO, Kazuki; ORITA, Masaya et al.Journal of chemical information and modeling. 2010, Vol 50, Num 7, pp 1233-1240, issn 1549-9596, 8 p.Article

Comparative Evaluation of 3D Virtual Ligand Screening Methods: Impact of the Molecular Alignment on EnrichmentGIGANTI, David; GUILLEMAIN, Hélène; SPADONI, Jean-Louis et al.Journal of chemical information and modeling. 2010, Vol 50, Num 6, pp 992-1004, issn 1549-9596, 13 p.Article

Lessons Learned from Molecular Scaffold AnalysisYE HU; STUMPFE, Dagmar; BAJORATH, Jürgen et al.Journal of chemical information and modeling. 2011, Vol 51, Num 8, pp 1742-1753, issn 1549-9596, 12 p.Article

One Concept, Three Implementations of 3D Pharmacophore-Based Virtual Screening: Distinct Coverage of Chemical Search SpaceSPITZER, Gudrun M; HEISS, Mathias; MANGOLD, Martina et al.Journal of chemical information and modeling. 2010, Vol 50, Num 7, pp 1241-1247, issn 1549-9596, 7 p.Article

Chemo-informatique et découverte : Au chevet du médicament = Drug and computer scienceBARBOSA, Fédérique; REVAH, Frédéric.Biofutur (Puteaux). 2004, Vol 240, pp 18-21, issn 0294-3506, 4 p.Article

Targeted scoring functions for virtual screeningSEIFERT, Markus H. J.Drug discovery today. 2009, Vol 14, Num 11-12, pp 562-569, issn 1359-6446, 8 p.Article

Inhibitors of human 2,3-oxidosqualene cyclase (OSC) discovered by virtual screeningWATANABE, Takumi; KURATA, Ikuko; UMEZAWA, Yoji et al.Bioorganic & medicinal chemistry letters (Print). 2012, Vol 22, Num 1, pp 231-234, issn 0960-894X, 4 p.Article

State-of-the-art in ligand-based virtual screeningRIPPHAUSEN, Peter; NISIUS, Britta; BAJORATH, Jürgen et al.Drug discovery today. 2011, Vol 16, Num 9-10, pp 372-376, issn 1359-6446, 5 p.Article

Ligand-Based Virtual Screening Using Bayesian NetworksABDO, Ammar; BEINING CHEN; MUELLER, Christoph et al.Journal of chemical information and modeling. 2010, Vol 50, Num 6, pp 1012-1020, issn 1549-9596, 9 p.Article

Extended-Connectivity FingerprintsROGERS, David; HAHN, Mathew.Journal of chemical information and modeling. 2010, Vol 50, Num 5, pp 742-754, issn 1549-9596, 13 p.Article

Molecular similarity analysis in virtual screening : foundations, limitations and novel approachesECKERT, Hanna; BAJORATH, Jürgen.Drug discovery today. 2007, Vol 12, Num 5-6, pp 225-233, issn 1359-6446, 9 p.Article

Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance EvaluationGEPPERT, Hanna; VOGT, Martin; BAJORATH, Jürgen et al.Journal of chemical information and modeling. 2010, Vol 50, Num 2, pp 205-216, issn 1549-9596, 12 p.Article

Structure-based shape pharmacophore modeling for the discovery of novel anesthetic compoundsEBALUNODE, Jerry O; XIALAN DONG; ZHENG OUYANG et al.Bioorganic & medicinal chemistry. 2009, Vol 17, Num 14, pp 5133-5138, issn 0968-0896, 6 p.Article

Similarity-based virtual screening using 2D fingerprintsWILLETT, Peter.Drug discovery today. 2006, Vol 11, Num 23-24, pp 1046-1053, issn 1359-6446, 8 p.Article

Emerging Topics in Structure-Based Virtual ScreeningRASTELLI, Giulio.Pharmaceutical research. 2013, Vol 30, Num 5, pp 1458-1463, issn 0724-8741, 6 p.Article

Identification and Validation of Novel Human Pregnane X Receptor Activators among Prescribed Drugs via Ligand-Based Virtual ScreeningSYONGMEI PAN; LINHAO LI; KIM, Gregory et al.Drug metabolism and disposition. 2011, Vol 39, Num 2, pp 337-344, issn 0090-9556, 8 p.Article

Efficient Virtual Screening Using Multiple Protein Conformations Described as Negative Images of the Ligand-Binding SiteVIRTANEN, Salla I; PENTIKÄINEN, Olli T.Journal of chemical information and modeling. 2010, Vol 50, Num 6, pp 1005-1011, issn 1549-9596, 7 p.Article

Pharmacophore-Based Virtual ScreeningHONGMAO SUN.Current medicinal chemistry. 2008, Vol 15, Num 10, pp 1018-1024, issn 0929-8673, 7 p.Article

Determination and mapping of activity-specific descriptor value ranges for the identification of active compoundsECKERT, Hanna; BAJORATH, Jürgen.Journal of medicinal chemistry (Print). 2006, Vol 49, Num 7, pp 2284-2293, issn 0022-2623, 10 p.Article

Virtual ligand screening : strategies, perspectives and limitationsKLEBE, Gerhard.Drug discovery today. 2006, Vol 11, Num 13-14, pp 580-594, issn 1359-6446, 15 p.Article

Protonation States of the Catalytic Dyad of β-Secretase (BACE1) in the Presence of Chemically Diverse Inhibitors: A Molecular Docking StudyBARMAN, Arghya; PRABHAKAR, Rajeev.Journal of chemical information and modeling. 2012, Vol 52, Num 5, pp 1275-1287, issn 1549-9596, 13 p.Article

Virtual Screening Discovery of New Acetylcholinesterase Inhibitors Issued from CERMN Chemical LibrarySOPKOVA-DE OLIVEIRA SANTOS, Jana; LESNARD, Aurelien; RAULT, Sylvain et al.Journal of chemical information and modeling. 2010, Vol 50, Num 3, pp 422-428, issn 1549-9596, 7 p.Article

MED-3DMC : A new tool to generate 3D conformation ensembles of small molecules with a Monte Carlo sampling of the conformational spaceSPERANDIO, Olivier; SOUAILLE, Marc; DELFAUD, Francois et al.European journal of medicinal chemistry. 2009, Vol 44, Num 4, pp 1405-1409, issn 0223-5234, 5 p.Article

Preoperative virtual screening examination of the airwayDILISIO, Ralph P; DILISIO, Abra J; WEINER, Menachem M et al.Journal of clinical anesthesia. 2014, Vol 26, Num 4, pp 315-317, issn 0952-8180, 3 p.Article

Cluster analysis of the DrugBank chemical space using molecular quantum numbers : Chemoinformatics in Drug DiscoveryAWALE, Mahendra; REYMOND, Jean-Louis.Bioorganic & medicinal chemistry. 2012, Vol 20, Num 18, pp 5372-5378, issn 0968-0896, 7 p.Article

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