Journal of chemical information and modeling
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
Inhaltsverzeichnis
- 701
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Comparison of Three Preprocessing Filters Efficiency in Virtual Screening: Identification of New Putative LXRβ Regulators As a Test CaseGhemtio, Léo / Devignes, Marie-Dominique / Smaïl-Tabbone, Malika et al. | 2010
- 701
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Comparison of Three Preprocessing Filters Efficiency in Virtual Screening: Identification of New Putative LXR beta Regulators As a Test CaseGhemtio, L. / Devignes, M.-D. / Smail-Tabbone, M. et al. | 2010
- 716
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Ranking Chemical Structures for Drug Discovery: A New Machine Learning ApproachAgarwal, Shivani / Dugar, Deepak / Sengupta, Shiladitya et al. | 2010
- 732
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A Semantic Web Ontology for Small Molecules and Their Biological TargetsChoi, JooYoung / Davis, Melissa J. / Newman, Andrew F. et al. | 2010
- 742
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Extended-Connectivity FingerprintsRogers, David / Hahn, Mathew et al. | 2010
- 755
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Model Tool to Describe Chemical Structures in XML Format Utilizing Structural Fragments and Chemical OntologySankar, Punnaivanam / Alain, Krief / Aghila, Gnanasekaran et al. | 2010
- 771
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Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening EnrichmentsSastry, Madhavi / Lowrie, Jeffrey F. / Dixon, Steven L. et al. | 2010
- 785
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Ranking Using the Copeland Score: A Comparison with the Hasse DiagramAl-Sharrah, Ghanima et al. | 2010
- 792
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LowModeMDImplicit Low-Mode Velocity Filtering Applied to Conformational Search of Macrocycles and Protein LoopsLabute, Paul et al. | 2010
- 801
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HPPD: Ligand- and Target-Based Virtual Screening on a Herbicide TargetLópez-Ramos, Miriam / Perruccio, Francesca et al. | 2010
- 815
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Are There Differences between Launched Drugs, Clinical Candidates, and Commercially Available Compounds?Ohno, Kazuki / Nagahara, Yuichi / Tsunoyama, Kazuhisa et al. | 2010
- 822
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Drug-like Bioactive Structures and Conformational Coverage with the LigPrep/ConfGen Suite: Comparison to Programs MOE and CatalystChen, I-Jen / Foloppe, Nicolas et al. | 2010
- 840
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Structure-based Design of Novel Small-Molecule Inhibitors of Plasmodium falciparumKortagere, Sandhya / Welsh, William J. / Morrisey, Joanne M. et al. | 2010
- 850
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Correlation Analyses on Binding Affinity of Substituted Benzenesulfonamides with Carbonic Anhydrase Using ab Initio MO Calculations on Their Complex StructuresYoshida, Tatsusada / Munei, Yohei / Hitaoka, Seiji et al. | 2010
- 861
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Classification and Virtual Screening of Androgen Receptor AntagonistsLi, Jiazhong / Gramatica, Paola et al. | 2010
- 875
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Molecular Dynamics Studies on T1 Lipase: Insight into a Double-Flap MechanismWang, Ying / Wei, Dong-Qing / Wang, Jing-Fang et al. | 2010
- 879
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ParaDockS: A Framework for Molecular Docking with Population-Based MetaheuristicsMeier, René / Pippel, Martin / Brandt, Frank et al. | 2010
- 890
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Accurate Ensemble Molecular Dynamics Binding Free Energy Ranking of Multidrug-Resistant HIV-1 ProteasesSadiq, S. Kashif / Wright, David W. / Kenway, Owain A. et al. | 2010
- 906
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Targeting the BH3 Domain Mediated Protein−Protein Interaction of Bcl-xL through Virtual ScreeningMukherjee, Prasenjit / Desai, Prashant / Zhou, Yu-Dong et al. | 2010
- 924
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Quantum Chemical Associations Ligand−Residue: Their Role to Predict Flavonoid Binding Sites in ProteinsRolo-Naranjo, Alberto / Codorniu-Hernández, Edelsys / Ferro, Noel et al. | 2010
- 934
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Branch-and-Bound Algorithms for Enumerating Treelike Chemical Graphs with Given Path Frequency Using Detachment-CutIshida, Yusuke / Kato, Yuki / Zhao, Liang et al. | 2010
- 947
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A Novel Evaluation of Residue and Protein Volumes by Means of Laguerre TessellationEsque, Jeremy / Oguey, Christophe / de Brevern, Alexandre G. et al. | 2010