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Jerry Osagie Ebalunode , Weifan Zheng : Unconventional 2D Shape Similarity Method Affords Comparable Enrichment as a 3D Shape Method in Virtual Screening Experiments. J. Chem. Inf. Model. 49 (6 ) : 1313-1320 (2009 )share record
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Thomas Engel : Book Review of Molecular Design (Concepts and Applications). J. Chem. Inf. Model. 49 (1 ) : 153 (2009 )export record
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journals/jcisd/EnglebienneM09 share record
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Pablo Englebienne , Nicolas Moitessier : Docking Ligands into Flexible and Solvated Macromolecules. 4. Are Popular Scoring Functions Accurate for this Class of Proteins? J. Chem. Inf. Model. 49 (6 ) : 1568-1580 (2009 )export record
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Pablo Englebienne , Nicolas Moitessier : Docking Ligands into Flexible and Solvated Macromolecules. 5. Force-Field-Based Prediction of Binding Affinities of Ligands to Proteins. J. Chem. Inf. Model. 49 (11 ) : 2564-2571 (2009 )export record
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journals/jcisd/FanIWKSS09 share record
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Hao Fan , John J. Irwin , Benjamin M. Webb , Gerhard Klebe , Brian K. Shoichet , Andrej Sali : Molecular Docking Screens Using Comparative Models of Proteins. J. Chem. Inf. Model. 49 (11 ) : 2512-2527 (2009 )export record
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journals/jcisd/FechnerJHZ09 share record
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Nikolas Fechner , Andreas Jahn , Georg Hinselmann , Andreas Zell : Atomic Local Neighborhood Flexibility Incorporation into a Structured Similarity Measure for QSAR. J. Chem. Inf. Model. 49 (3 ) : 549-560 (2009 )share record
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Miklos Feher , Christopher I. Williams : Effect of Input Differences on the Results of Docking Calculations. J. Chem. Inf. Model. 49 (7 ) : 1704-1714 (2009 )export record
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Igor V. Filippov , Marc C. Nicklaus : Optical Structure Recognition Software To Recover Chemical Information: OSRA, An Open Source Solution. J. Chem. Inf. Model. 49 (3 ) : 740-743 (2009 )share record
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Pedro Fong , Jonathan P. McNamara , Ian H. Hillier , Richard A. Bryce : Assessment of QM/MM Scoring Functions for Molecular Docking to HIV-1 Protease. J. Chem. Inf. Model. 49 (4 ) : 913-924 (2009 )export record
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journals/jcisd/FreedmanHLLT09 share record
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Holly Freedman , J. Torin Huzil , Tyler Luchko , Richard F. Luduena , Jack A. Tuszynski : Identification and Characterization of an Intermediate Taxol Binding Site Within Microtubule Nanopores and a Mechanism for Tubulin Isotype Binding Selectivity. J. Chem. Inf. Model. 49 (2 ) : 424-436 (2009 )export record
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Yoshifumi Fukunishi , Daisuke Mitomo , Haruki Nakamura : Protein-Ligand Binding Free Energy Calculation by the Smooth Reaction Path Generation (SRPG) Method. J. Chem. Inf. Model. 49 (8 ) : 1944-1951 (2009 )export record
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journals/jcisd/FukunishiMOON09 share record
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Yoshifumi Fukunishi , Tadaaki Mashimo , Masaya Orita , Kazuki Ohno , Haruki Nakamura : In Silico Fragment Screening by Replica Generation (FSRG) Method for Fragment-Based Drug Design. J. Chem. Inf. Model. 49 (4 ) : 925-933 (2009 )share record
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Andrzej Galat : On Transversal Hydrophobicity of Some Proteins and Their Modules. J. Chem. Inf. Model. 49 (7 ) : 1821-1830 (2009 )export record
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journals/jcisd/GardinerCTG09 share record
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Eleanor J. Gardiner , David A. Cosgrove , Robin Taylor , Valerie J. Gillet : Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations. J. Chem. Inf. Model. 49 (12 ) : 2761-2773 (2009 )export record
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journals/jcisd/GeppertHSGB09 share record
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Hanna Geppert , Jens Humrich , Dagmar Stumpfe , Thomas Gärtner , Jürgen Bajorath : Ligand Prediction from Protein Sequence and Small Molecule Information Using Support Vector Machines and Fingerprint Descriptors. J. Chem. Inf. Model. 49 (4 ) : 767-779 (2009 )export record
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journals/jcisd/GhoshNNGB09 share record
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Ambarnil Ghosh , Ashesh Nandy , Papiya Nandy , Brian D. Gute , Subhash C. Basak : Computational Study of Dispersion and Extent of Mutated and Duplicated Sequences of the H5N1 Influenza Neuraminidase over the Period 1997-2008. J. Chem. Inf. Model. 49 (11 ) : 2627-2638 (2009 )export record
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Sergio Giuffrida , Giampaolo Barone , Dario Duca : Adsorbed CO on Group 10 Metal Fragments: A DFT Study. J. Chem. Inf. Model. 49 (5 ) : 1223-1233 (2009 )export record
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Matthew Paul Gleeson , Duangkamol Gleeson : QM/MM Calculations in Drug Discovery: A Useful Method for Studying Binding Phenomena? J. Chem. Inf. Model. 49 (3 ) : 670-677 (2009 )export record
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Matthew Paul Gleeson , Duangkamol Gleeson : QM/MM As a Tool in Fragment Based Drug Discovery. A Cross-Docking, Rescoring Study of Kinase Inhibitors. J. Chem. Inf. Model. 49 (6 ) : 1437-1448 (2009 )export record
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Adel Golovin , Kim Henrick : Chemical Substructure Search in SQL. J. Chem. Inf. Model. 49 (1 ) : 22-27 (2009 )export record
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journals/jcisd/Gonzalez-RuizG09 share record
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Domingo González-Ruiz , Holger Gohlke : Steering Protein-Ligand Docking with Quantitative NMR Chemical Shift Perturbations. J. Chem. Inf. Model. 49 (10 ) : 2260-2271 (2009 )export record
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Mohammad Goodarzi , Pablo Duchowicz , Chih-Hung Wu , Francisco M. Fernández , Eduardo A. Castro : New Hybrid Genetic Based Support Vector Regression as QSAR Approach for Analyzing Flavonoids-GABA(A) Complexes. J. Chem. Inf. Model. 49 (6 ) : 1475-1485 (2009 )export record
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Mohammad Goodarzi , Matheus P. Freitas , Richard Jensen : Feature Selection and Linear/Nonlinear Regression Methods for the Accurate Prediction of Glycogen Synthase Kinase-3β Inhibitory Activities. J. Chem. Inf. Model. 49 (4 ) : 824-832 (2009 )share record
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Jonathan M. Goodman : Computer Software Review: Reaxys. J. Chem. Inf. Model. 49 (12 ) : 2897-2898 (2009 )export record
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journals/jcisd/GriewelKSR09 share record
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Axel Griewel , Ole Kayser , Jochen Schlosser , Matthias Rarey : Conformational Sampling for Large-Scale Virtual Screening: Accuracy versus Ensemble Size. J. Chem. Inf. Model. 49 (10 ) : 2303-2311 (2009 )share record
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M. Michael Gromiha : Multiple Contact Network Is a Key Determinant to Protein Folding Rates. J. Chem. Inf. Model. 49 (4 ) : 1130-1135 (2009 )export record
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Aysam Guerler , Connie Wang , Ernst-Walter Knapp : Symmetric Structures in the Universe of Protein Folds. J. Chem. Inf. Model. 49 (9 ) : 2147-2151 (2009 )export record
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Harsha Gurulingappa , Corinna Kolárik , Martin Hofmann-Apitius , Juliane Fluck : Concept-Based Semi-Automatic Classification of Drugs. J. Chem. Inf. Model. 49 (8 ) : 1986-1992 (2009 )share record
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Thomas A. Halgren : Identifying and Characterizing Binding Sites and Assessing Druggability. J. Chem. Inf. Model. 49 (2 ) : 377-389 (2009 )share record
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Areej M. Abu Hammad , Mutasem O. Taha : Pharmacophore Modeling, Quantitative Structure-Activity Relationship Analysis, and Shape-Complemented in Silico Screening Allow Access to Novel Influenza Neuraminidase Inhibitors. J. Chem. Inf. Model. 49 (4 ) : 978-996 (2009 )