2009 export record
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Mark Agostino , Cassandra Jene , Tristan Boyle , Paul A. Ramsland , Elizabeth Yuriev : Molecular Docking of Carbohydrate Ligands to Antibodies: Structural Validation against Crystal Structures. J. Chem. Inf. Model. 49 (12 ) : 2749-2760 (2009 )export record
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journals/jcisd/AlbaughHHKPHG09 share record
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Daniel R. Albaugh , L. Mark Hall , Dennis W. Hill , Tzipporah M. Kertesz , Marc Parham , Lowell H. Hall , David F. Grant : Prediction of HPLC Retention Index Using Artificial Neural Networks and IGroup E-State Indices. J. Chem. Inf. Model. 49 (4 ) : 788-799 (2009 )export record
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journals/jcisd/AlcaroACOPSS09 share record
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Stefano Alcaro , Anna Artese , Francesca Ceccherini-Silberstein , Francesco Ortuso , Carlo-Federico Perno , Tobias Sing , Valentina Svicher : Molecular Dynamics and Free Energy Studies on the Wild-Type and Mutated HIV-1 Protease Complexed with Four Approved Drugs: Mechanism of Binding and Drug Resistance. J. Chem. Inf. Model. 49 (7 ) : 1751-1761 (2009 )export record
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journals/jcisd/Alzate-MoralesCJN09 share record
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Jans H. Alzate-Morales , Julio Caballero , Ariela Vergara Jaque , Fernando D. González Nilo : Insights into the Structural Basis of N2 and O6 Substituted Guanine Derivatives as Cyclin-Dependent Kinase 2 (CDK2) Inhibitors: Prediction of the Binding Modes and Potency of the inhibitors by Docking and ONIOM Calculations. J. Chem. Inf. Model. 49 (4 ) : 886-899 (2009 )export record
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journals/jcisd/AndradePFH09 share record
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Carolina Horta Andrade , Kerly F. M. Pasqualoto , Elizabeth I. Ferreira , Anton J. Hopfinger : Rational Design and 3D-Pharmacophore Mapping of 5′-Thiourea-Substituted α-Thymidine Analogues as Mycobacterial TMPK Inhibitors. J. Chem. Inf. Model. 49 (4 ) : 1070-1078 (2009 )export record
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journals/jcisd/AngelopoulosHW09 share record
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Nicos Angelopoulos , Andreas Hadjiprocopis , Malcolm D. Walkinshaw : Bayesian Model Averaging for Ligand Discovery. J. Chem. Inf. Model. 49 (6 ) : 1547-1557 (2009 )export record
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journals/jcisd/BaberTCH09 share record
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J. Christian Baber , David C. Thompson , Jason B. Cross , Christine Humblet : GARD: A Generally Applicable Replacement for RMSD. J. Chem. Inf. Model. 49 (8 ) : 1889-1900 (2009 )share record
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Pierre Baldi , Daniel S. Hirschberg : An Intersection Inequality Sharper than the Tanimoto Triangle Inequality for Efficiently Searching Large Databases. J. Chem. Inf. Model. 49 (8 ) : 1866-1870 (2009 )export record
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journals/jcisd/Bar-HaimABMS09 share record
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Shay Bar-Haim , Ayelet Aharon , Tal Ben-Moshe , Yael Marantz , Hanoch Senderowitz : SeleX-CS: A New Consensus Scoring Algorithm for Hit Discovery and Lead Optimization. J. Chem. Inf. Model. 49 (3 ) : 623-633 (2009 )share record
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Sohini Basu , Srikanta Sen : Turning a Mesophilic Protein into a Thermophilic One: A Computational Approach Based on 3D Structural Features. J. Chem. Inf. Model. 49 (7 ) : 1741-1750 (2009 )export record
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journals/jcisd/BenderJSSGD09 share record
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Andreas Bender , Jeremy L. Jenkins , Josef Scheiber , Sai Chetan K. Sukuru , Meir Glick , John W. Davies : How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space. J. Chem. Inf. Model. 49 (1 ) : 108-119 (2009 )export record
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journals/jcisd/BergmannLSZ09 share record
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Rikke Bergmann , Tommy Liljefors , Morten Dahl Sørensen , Ismael Zamora : SHOP: Receptor-Based Scaffold HOPping by GRID-Based Similarity Searches. J. Chem. Inf. Model. 49 (3 ) : 658-669 (2009 )export record
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journals/jcisd/BirchallG0DL09 share record
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Kristian Birchall , Valerie J. Gillet , Peter Willett , Pierre Ducrot , Claude Luttmann : Use of Reduced Graphs To Encode Bioisosterism for Similarity-Based Virtual Screening. J. Chem. Inf. Model. 49 (6 ) : 1330-1346 (2009 )export record
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journals/jcisd/BonnetAZM09 share record
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Pascal Bonnet , Dimitris K. Agrafiotis , Fangqiang Zhu , Eric J. Martin : Conformational Analysis of Macrocycles: Finding What Common Search Methods Miss. J. Chem. Inf. Model. 49 (10 ) : 2242-2259 (2009 )share record
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Tim ten Brink , Thomas E. Exner : Influence of Protonation, Tautomeric, and Stereoisomeric States on Protein-Ligand Docking Results. J. Chem. Inf. Model. 49 (6 ) : 1535-1546 (2009 )export record
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journals/jcisd/BrodneyBGHKP09 share record
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Marian D. Brodney , Arthur D. Brosius , Tracy Gregory , Steven D. Heck , Jacquelyn L. Klug-McLeod , Christopher S. Poss : Project-Focused Activity and Knowledge Tracker: A Unified Data Analysis, Collaboration, and Workflow Tool for Medicinal Chemistry Project Teams. J. Chem. Inf. Model. 49 (12 ) : 2639-2649 (2009 )export record
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journals/jcisd/BrogiKVPRT09 share record
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Simone Brogi , Maria Kladi , Constantinos Vagias , Panagiota Papazafiri , Vassilios Roussis , Andrea Tafi : Pharmacophore Modeling for Qualitative Prediction of Antiestrogenic Activity. J. Chem. Inf. Model. 49 (11 ) : 2489-2497 (2009 )share record
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Agostino Bruno , Antonio Entrena Guadix , Gabriele Costantino : Molecular Dynamics Simulation of the Heterodimeric mGluR2/5HT2A Complex. An Atomistic Resolution Study of a Potential New Target in Psychiatric Conditions. J. Chem. Inf. Model. 49 (6 ) : 1602-1616 (2009 )export record
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journals/jcisd/Buntrock09 share record
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Robert E. Buntrock : Information and Emotion: The Emergent Affective Paradigm in Information Behavior Research and Theory. J. Chem. Inf. Model. 49 (8 ) : 2011 (2009 )export record
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Robert E. Buntrock : Write Like a Chemist. J. Chem. Inf. Model. 49 (8 ) : 2011-2012 (2009 )export record
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Robert E. Buntrock : The Chicago Guide to Your Career in Science. A Toolkit for Students and Postdocs. J. Chem. Inf. Model. 49 (9 ) : 2152 (2009 )export record
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journals/jcisd/BurdenPW09 share record
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Frank R. Burden , Mitchell J. Polley , David A. Winkler : Toward Novel Universal Descriptors: Charge Fingerprints. J. Chem. Inf. Model. 49 (3 ) : 710-715 (2009 )export record
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journals/jcisd/Campagna-SlaterS09 share record
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Valérie Campagna-Slater , Matthieu Schapira : Evaluation of Virtual Screening as a Tool for Chemical Genetic Applications. J. Chem. Inf. Model. 49 (9 ) : 2082-2091 (2009 )export record
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journals/jcisd/CarlssonHB09 share record
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Lars Carlsson , Ernst Ahlberg Helgee , Scott Boyer : Interpretation of Nonlinear QSAR Models Applied to Ames Mutagenicity Data. J. Chem. Inf. Model. 49 (11 ) : 2551-2558 (2009 )share record
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Fergal P. Casey , Emilie Pihan , Denis C. Shields : Discovery of Small Molecule Inhibitors of Protein-Protein Interactions Using Combined Ligand and Target Score Normalization. J. Chem. Inf. Model. 49 (12 ) : 2708-2717 (2009 )share record
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Cornel Catana : Simple Idea to Generate Fragment and Pharmacophore Descriptors and Their Implications in Chemical Informatics. J. Chem. Inf. Model. 49 (3 ) : 543-548 (2009 )export record
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journals/jcisd/ChandrashekaranRC09 share record
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Indu R. Chandrashekaran , Gita Subba Rao , Sudha M. Cowsik : Molecular Modeling of the Peptide Agonist-Binding Site in a Neurokinin-2 Receptor. J. Chem. Inf. Model. 49 (7 ) : 1734-1740 (2009 )export record
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Shailendra S. Chaudhaery , Kuldeep K. Roy , Anil K. Saxena : Consensus Superiority of the Pharmacophore-Based Alignment, Over Maximum Common Substructure (MCS): 3D-QSAR Studies on Carbamates as Acetylcholinesterase Inhibitors. J. Chem. Inf. Model. 49 (6 ) : 1590-1601 (2009 )share record
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Jonathan H. Chen , Pierre Baldi : No Electron Left Behind: A Rule-Based Expert System To Predict Chemical Reactions and Reaction Mechanisms. J. Chem. Inf. Model. 49 (9 ) : 2034-2043 (2009 )export record
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journals/jcisd/ChenBEKSBWBL09 share record
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Hongming Chen , Ulf Borjesson , Ola Engkvist , Thierry Kogej , Mats Svensson , Niklas Blomberg , Dirk Weigelt , Jeremy N. Burrows , Tim Lange : ProSAR: A New Methodology for Combinatorial Library Design. J. Chem. Inf. Model. 49 (3 ) : 603-614 (2009 )