kw.\*:("virtual screening")
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Emerging Topics in Structure-Based Virtual ScreeningRASTELLI, Giulio.Pharmaceutical research. 2013, Vol 30, Num 5, pp 1458-1463, issn 0724-8741, 6 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
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
Is chemical synthetic accessibility computationally predictable for drug and lead-like molecules? A comparative assessment between medicinal and computational chemistsBONNET, Pascal.European journal of medicinal chemistry. 2012, Vol 54, pp 679-689, issn 0223-5234, 11 p.Article
Discovery and structure―activity analysis of selective estrogen receptor modulators via similarity-based virtual screeningJIE SHEN; JING JIANG; GUANGLIN KUANG et al.European journal of medicinal chemistry. 2012, Vol 54, pp 188-196, issn 0223-5234, 9 p.Article
Structure-based virtual screening of novel inhibitors of the uridyltransferase activity of Xanthomonas oryzae pv. oryzae GlmUJUN MIN; DA LIN; QINGYE ZHANG et al.European journal of medicinal chemistry. 2012, Vol 53, pp 150-158, issn 0223-5234, 9 p.Article
Pharmacophore-Based Virtual ScreeningHONGMAO SUN.Current medicinal chemistry. 2008, Vol 15, Num 10, pp 1018-1024, issn 0929-8673, 7 p.Article
Theoretical and Practical Considerations in Virtual Screening : A Beaten Field?KONTOYIANNI, Maria; MADHAV, Prakash; SUCHANEK, Eric et al.Current medicinal chemistry. 2008, Vol 15, Num 2, pp 107-116, issn 0929-8673, 10 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
Putting molecular similarity into context : asymmetric indices for field-based similarity measuresMESTRES, Jordi; MAGGIORA, Gerald M.Journal of mathematical chemistry. 2006, Vol 39, Num 1, pp 107-118, issn 0259-9791, 12 p.Article
Discovery of N6-phenyl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine derivatives as novel CK1 inhibitors using common-feature pharmacophore model based virtual screening and hit-to-lead optimizationYANG, Ling-Ling; LI, Guo-Bo; YAN, Heng-Xiu et al.European journal of medicinal chemistry. 2012, Vol 56, pp 30-38, issn 0223-5234, 9 p.Article
Identification of first proadrenomedullin N-terminal 20 peptide (PAMP) modulator by means of virtual screening and NMR interaction experimentsROLDOS, Virginia; CARBAJO, Rodrigo J; SCHOTT, Anne-Kathrin et al.European journal of medicinal chemistry. 2012, Vol 55, pp 262-272, issn 0223-5234, 11 p.Article
Discovery of new scaffolds for rational design of HCV NS5B polymerase inhibitorsGOLUB, Andriy G; GURUKUMAR, K. R; BASU, Amartya et al.European journal of medicinal chemistry. 2012, Vol 58, pp 258-264, issn 0223-5234, 7 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
Discovery of flavonoid derivatives as anti-HCV agents via pharmacophore search combining molecular docking strategyLIU, Ming-Ming; LU ZHOU; HE, Pei-Lan et al.European journal of medicinal chemistry. 2012, Vol 52, pp 33-43, issn 0223-5234, 11 p.Article
Discovery of non-oxime reactivators using an in silico pharmacophore model of oxime reactivators of OP-inhibited acetylcholinesteraseBHATTACHARJEE, Apurba K; MAREK, Elizabeth; HA THU LE et al.European journal of medicinal chemistry. 2012, Vol 49, pp 229-238, issn 0223-5234, 10 p.Article
A highly selective structure-based virtual screening model of Palm I allosteric inhibitors of HCV Ns5b polymerase enzyme and its application in the discovery and optimization of new analoguesMAHMOUD, Amr H; ABOU EL ELLA, Dalal A; ISMAIL, Mohamed A. H et al.European journal of medicinal chemistry. 2012, Vol 57, pp 468-482, issn 0223-5234, 15 p.Article
Application of a post-docking procedure based on MM-PBSA and MM-GBSA on single and multiple protein conformationsSGOBBA, Miriam; CAPORUSCIO, Fabiana; ANIGHORO, Andrew et al.European journal of medicinal chemistry. 2012, Vol 58, pp 431-440, issn 0223-5234, 10 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
Identification of Novel Rab27a/Melanophilin Blockers by Pharmacophore-Based Virtual ScreeningJONG YOUNG JOUNG; HA YEON LEE; JONGIL PARK et al.Applied biochemistry and biotechnology. 2014, Vol 172, Num 4, pp 1882-1897, issn 0273-2289, 16 p.Article
Recent advances in computer-aided drug designCHUN MENG SONG; SHEN JEAN LIM; JOO CHUAN TONG et al.Briefings in bioinformatics. 2009, Vol 10, Num 5, pp 579-591, issn 1467-5463, 13 p.Article
2-(4-Chlorophenyl)-2-oxoethyl 4-benzamidobenzoate derivatives, a novel class of SENP1 inhibitors: Virtual screening, synthesis and biological evaluationYINGYI CHEN; DONGHUA WEN; ZHIMIN HUANG et al.Bioorganic & medicinal chemistry letters (Print). 2012, Vol 22, Num 22, pp 6867-6870, issn 0960-894X, 4 p.Article
Consensus hologram QSAR modeling for the prediction of human intestinal absorptionMODA, Tiago L; ANDRICOPULO, Adriano D.Bioorganic & medicinal chemistry letters (Print). 2012, Vol 22, Num 8, pp 2889-2893, issn 0960-894X, 5 p.Article
Human kallikrein 6 inhibitors with a para-amidobenzylanmine P1 group identified through virtual screeningGUYANLIANG; XIN CHEN; ALDOUS, Suzanne et al.Bioorganic & medicinal chemistry letters (Print). 2012, Vol 22, Num 7, pp 2450-2455, issn 0960-894X, 6 p.Article