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Cover Picture: (Mol. Inf. 8-9/2016)
- Page: 293
- First Published: 22 August 2016

Molecular Informatics publishes research that will deepen our understanding about information storage and processing on the molecular level, signaling and regulation of biological and chemical systems including cellular systems and macromolecular assemblies, modeling of molecular interactions and networks, and the design of molecular modulators that exhibit desired biochemical and pharmacological effects. Various aspects of this transdisciplinary scientific area are depicted on the cover: Cells with their nuclei and membranes (image courtesy of Dr. A. Schreiner and E. Resch), models of receptor-ligand interactions, and an artistic representation of “biological information” as multiple bit-codes presented on a right-handed helix.
Reviews
Mind the Gap! A Journey towards Computational Toxicology
- Pages: 294-308
- First Published: 13 April 2016
Use of Integrated Computational Approaches in the Search for New Therapeutic Agents
- Pages: 309-325
- First Published: 25 July 2016
Communications
Full Papers
Homology Modeling, Validation and Dynamics of the G Protein-coupled Estrogen Receptor 1 (GPER-1)
- Pages: 333-339
- First Published: 04 April 2016
Best Matching Protein Conformations and Docking Programs for a Virtual Screening Campaign Against SMO Receptor
- Pages: 340-349
- First Published: 11 May 2016
GLIMPSED: An Improved Docking Protocol for Cognate Docking
- Pages: 350-357
- First Published: 12 May 2016
A Novel Multi-step Virtual Screening for the Identification of Human and Mouse mPGES-1 Inhibitors
- Pages: 358-368
- First Published: 23 May 2016
Further Insights in the Binding Mode of Selective Inhibitors to Human PDE4D Enzyme Combining Docking and Molecular Dynamics
- Pages: 369-381
- First Published: 20 June 2016
Software Infrastructure for Computer-aided Drug Discovery and Development, a Practical Example with Guidelines
- Pages: 382-390
- First Published: 20 June 2016
A Comparative Docking Strategy to Identify Polyphenolic Derivatives as Promising Antineoplastic Binders of G-quadruplex DNA c-myc and bcl-2 Sequences
- Pages: 391-402
- First Published: 24 June 2016
Simulation and Comparative Analysis of Different Binding Modes of Non-nucleoside Agonists at the A2A Adenosine Receptor
- Pages: 403-413
- First Published: 28 June 2016
How to Choose the Suitable Template for Homology Modelling of GPCRs: 5-HT7 Receptor as a Test Case
- Pages: 414-423
- First Published: 28 June 2016
Structural Effects of Some Relevant Missense Mutations on the MECP2-DNA Binding: A MD Study Analyzed by Rescore+, a Versatile Rescoring Tool of the VEGA ZZ Program
- Pages: 424-433
- First Published: 14 July 2016
A Virtual Screening Study for Lactate Dehydrogenase 5 Inhibitors by Using a Pharmacophore-based Approach
- Pages: 434-439
- First Published: 15 June 2016
New Trends in Inspecting GPCR-ligand Recognition Process: the Contribution of the Molecular Modeling Section (MMS) at the University of Padova
- Pages: 440-448
- First Published: 19 July 2016
Docking Studies and Molecular Dynamic Simulations Reveal Different Features of IDO1 Structure
- Pages: 449-459
- First Published: 19 July 2016
Rational Design, Synthesis and Evaluation of Coumarin Derivatives as Protein-protein Interaction Inhibitors
- Pages: 460-473
- First Published: 25 July 2016