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
- 1289
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Solubility Challenge: Can You Predict Solubilities of 32 Molecules Using a Database of 100 Reliable Measurements?Llinàs, Antonio / Glen, Robert C. / Goodman, Jonathan M. et al. | 2008
- 1304
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Scaffold Topologies. 1. Exhaustive Enumeration up to Eight RingsPollock, Sara N. / Coutsias, Evangelos A. / Wester, Michael J. et al. | 2008
- 1311
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Scaffold Topologies. 2. Analysis of Chemical DatabasesWester, Michael J. / Pollock, Sara N. / Coutsias, Evangelos A. et al. | 2008
- 1325
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Combined Ligand and Structure Based Approaches for Narrowing on the Essential Physicochemical Characteristics for CDK4 InhibitionMascarenhas, Nahren Manuel / Ghoshal, Nanda et al. | 2008
- 1337
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Mold2, Molecular Descriptors from 2D Structures for Chemoinformatics and ToxicoinformaticsHong, Huixiao / Xie, Qian / Ge, Weigong et al. | 2008
- 1345
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Enumerating Treelike Chemical Graphs with Given Path FrequencyFujiwara, Hiroki / Wang, Jiexun / Zhao, Liang et al. | 2008
- 1358
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Why Are the Kinked Polyacenes More Stable than the Straight Ones? A Topological Study and Introduction of a New Topological Index of AromaticityCiesielski, Arkadiusz / Krygowski, Tadeusz M. / Cyrański, Michał K. et al. | 2008
- 1367
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Speeding Up Chemical Database Searches Using a Proximity Filter Based on the Logical Exclusive ORBaldi, Pierre / Hirschberg, Daniel S. / Nasr, Ramzi J. et al. | 2008
- 1379
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Data Mining the NCI60 to Predict Generalized CytotoxicityLee, Adam C. / Shedden, Kerby / Rosania, Gustavo R. et al. | 2008
- 1389
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Design and Exploration of Target-Selective Chemical Space RepresentationsVogt, Ingo / Bajorath, Jürgen et al. | 2008
- 1396
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Hot-Spots-Guided Receptor-Based Pharmacophores (HS-Pharm): A Knowledge-Based Approach to Identify Ligand-Anchoring Atoms in Protein Cavities and Prioritize Structure-Based PharmacophoresBarillari, Caterina / Marcou, Gilles / Rognan, Didier et al. | 2008
- 1411
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An Alternative Method for the Evaluation of Docking Performance: RSR vs RMSDYusuf, Dilmurat / Davis, Andrew M. / Kleywegt, Gerard J. et al. | 2008
- 1423
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Coordination of Na+ by Monoamine Ligands in Dopamine, Norepinephrine, and Serotonin TransportersXhaard, Henri / Backström, Vera / Denessiouk, Konstantin et al. | 2008
- 1438
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An Improved PMF Scoring Function for Universally Predicting the Interactions of a Ligand with Protein, DNA, and RNAZhao, Xiaoyu / Liu, Xiaofeng / Wang, Yuanyuan et al. | 2008
- 1448
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Active Site Pressurization: A New Tool for Structure-Guided Drug Design and Other Studies of Protein FlexibilityWithers, Ian M. / Mazanetz, Michael P. / Wang, Hao et al. | 2008
- 1455
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Delineation of Agonist Binding to the Human Histamine H4 Receptor Using Mutational Analysis, Homology Modeling, and ab Initio CalculationsJongejan, Aldo / Lim, Herman D. / Smits, Rogier A. et al. | 2008
- 1464
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Molecular Docking of Cathepsin L Inhibitors in the Binding Site of PapainBeavers, Mary Pat / Myers, Michael C. / Shah, Parag P. et al. | 2008
- 1473
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Identification of Hits and Lead Structure Candidates with Limited Resources by Adaptive OptimizationSchüller, Andreas / Schneider, Gisbert et al. | 2008
- 1492
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AIScore Chemically Diverse Empirical Scoring Function Employing Quantum Chemical Binding Energies of Hydrogen-Bonded ComplexesRaub, Stephan / Steffen, Andreas / Kämper, Andreas et al. | 2008
- 1492
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AlScore - Chemically Diverse Empirical Scoring Function Employing Quantum Chemical Binding Energies of Hydrogen-Bonded ComplexesRaub, S. / Steffen, A. / Kamper, A. et al. | 2008
- 1511
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A Web Service Infrastructure for Thermochemical DataPaolini, Christopher P. / Bhattacharjee, Subrata et al. | 2008
- 1524
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Web Server To Identity Similarity of Amino Acid Motifs to Compounds (SAAMCO)Casey, F.P. / Davey, N.E. / Baran, I. et al. | 2008
- 1524
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Web Server To Identify Similarity of Amino Acid Motifs to Compounds (SAAMCO)Casey, Fergal P. / Davey, Norman E. / Baran, Ivan et al. | 2008
- 1530
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ZEOBUILDER: A GUI Toolkit for the Construction of Complex Molecular Structures on the Nanoscale with Building BlocksVerstraelen, T. / Van Speybroeck, V. / Waroquier, M. et al. | 2008