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Molecular Informatics
Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Editors: Knut Baumann, Gerhard Ecker, Jordi Mestres, Gisbert Schneider
Impact Factor: 2.39
ISI Journal Citation Reports © Ranking: 2011: 10/47 (Mathematical & Computational Biology); 28/59 (Chemistry Medicinal)
Online ISSN: 1868-1751
Associated Title(s): Chemical Biology & Drug Design, ChemMedChem, Journal of Computational Chemistry
Methods Corner
As a unique feature, Molecular Informatics publishes so-called "Methods Corner" review-type articles which feature important technological concepts and advances within the scope of the journal. Each issue of Molecular Informatics usually publishes a "Methods Corner" article.
EarlyView | 2013 | 2012 | 2011 | 2010
EarlyView | 2013 | 2012 | 2011 | 2010
- Jens Niklas, Juan G Diaz Ochoa, Joachim Bucher, Klaus Mauch
Quantitative Evaluation and Prediction of Drug Effects and Toxicological Risk Using Mechanistic Multiscale Models
Mol. Inf. 2013, 32, No. 01, 14-23.
EarlyView | 2013 | 2012 | 2011 | 2010
- Kiyoshi Hasegawa, Kimito Funatsu
Evolution of PLS for Modeling SAR and omics Data
Mol. Inf. 2012, 31, No. 11-12, 766-775.
- Christoph G. W. Gertzen, Holger Gohlke
From Hansch-Fujita Analysis to AFMoC: A Road to Structure-Based QSAR
Mol. Inf. 2012, 31, No. 10, 698-704.
- Oliver Koch
Advances in the Prediction of Turn Structures in Peptides and Proteins
Mol. Inf. 2012, 31, No. 09, 624-630.
- Lennart Eriksson, Josefin Rosén, Erik Johansson, Johan Trygg
Orthogonal PLS (OPLS) Modeling for Improved Analysis and Interpretation in Drug Design
Mol. Inf. 2012, 31, No. 06-7, 414-419.
- David Rodríguez, Xabier Bello, Hugo Gutiérrez-de-Terán
Molecular Modelling of G Protein-Coupled Receptors Through the Web
Mol. Inf. 2012, 31, No. 05, 334-341.
- Agostino Bruno, Gabriele Costantino
Molecular Dynamics Simulations of G Protein-Coupled Receptors
Mol. Inf. 2012, 31, No. 03-4, 222-230.
- Nadine Homeyer, Holger Gohlke
Free Energy Calculations by the Molecular Mechanics Poisson−Boltzmann Surface Area Method
Mol. Inf. 2012, 31, No. 02, 114-122.
- Matteo Floris, Stefano Moro
Mimicking Peptides… In Silico
Mol. Inf. 2012, 31, No. 01, 12-20.
EarlyView | 2013 | 2012 | 2011 | 2010
- Martin Koch, Hans-Dieter Royer, Michael Wiese
A Microarray Tool Provides Pathway and GO Term Analysis
Mol. Inf. 2011, 30, No. 11-12, 918-921.
- Daniela Digles, Gerhard F. Ecker
Self-Organizing Maps for In Silico Screening and Data Visualization
Mol. Inf. 2011, 30, No. 10, 838-846.
- John A. Baker, Jonathan D. Hirst
Molecular Dynamics Simulations Using Graphics Processing Units
Mol. Inf. 2011, 30, No. 06-7, 498-504.
- Martin Löwer, Ewgenij Proschak
Structure-Based Pharmacophores for Virtual Screening
Mol. Inf. 2011, 30, No. 05, 398-404.
- Osamu Ichihara, John Barker, Richard J. Law, Mark Whittaker
Compound Design by Fragment-Linking
Mol. Inf. 2011, 30, No. 04, 298-306.
- Katrin Stierand, Matthias Rarey
Flat and Easy: 2D Depiction of Protein-Ligand Complexes
Mol. Inf. 2011, 30, No. 01, 12-19.
EarlyView | 2013 | 2012 | 2011 | 2010
- Ina Koch
Petri Nets – A Mathematical Formalism to Analyze Chemical Reaction Networks
Mol. Inf. 2010, 29, No. 12, 838-843.
- Dimitris K. Agrafiotis, Huafeng Xu, Fangqiang Zhu, Deepak Bandyopadhyay, Pu Liu
Stochastic Proximity Embedding: Methods and Applications
Mol. Inf. 2010, 29, No. 11, 758-770.
- Yusuf Tanrikulu, Rama Kondru, Gisbert Schneider, W. Venus So, Hans-Marcus Bitter
Missing Value Estimation for Compound-Target Activity Data
Mol. Inf. 2010, 29, No. 10, 678-684.
- Julien Michel , Nicolas Foloppe, Jonathan W. Essex
Rigorous Free Energy Calculations in Structure-Based Drug Design
Mol. Inf. 2010, 29, No. 08-9, 570-578.
- Thierry Langer
Pharmacophores in Drug Research
Mol. Inf. 2010, 29, No. 06-7, 470-475.
- Sarah R. Langdon, Peter Ertl, Nathan Brown
Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization
Mol. Inf. 2010, 29, No. 05, 366-385.
- Matthias Rupp, Gisbert Schneider
Graph Kernels for Molecular Similarity
Mol. Inf. 2010, 29, No. 04, 266-273.
- Angela M. Henzler, Matthias Rarey
In Pursuit of Fully Flexible Protein-Ligand Docking: Modeling the Bilateral Mechanism of Binding
Mol. Inf. 2010, 29, No. 03, 164-173.
- Ingo Vogt, Jordi Mestres
Drug-Target Networks
Mol. Inf. 2010, 29, No. 01-2, 10-14.