Computational Approaches for the Investigation of Complex Molecular Mechanisms 3.0

Dear Colleagues,

In recent years, technical and scientifical progress in computational science has provided valuable and affordable tools for scientific research in the field of molecular biology. From bioinformatics to molecular modeling, from the -omics approach to the development of mathematical models, computational biomodeling has provided relevant contributions to the clarification of fundamental biological mechanisms.

For this Special Issue, we would like to invite papers that address the following concepts:

• Integrated approach between wet and in silico techniques to tackle a relevant biological issue;
• Exploitation of computational models to direct wet research;
• Computational approach applied to gain novel interpretation of previous experimental data.

Suggested methodologies include, but are not limited to, bioinformatics, homology modelling, analysis of gene expression to identify transcriptional regulation pathways, protein–protein and ligand–protein docking, molecular dynamics, mathematical modeling, and molecular or cell biology techniques (not mandatory).

Dr. Renata Tisi
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

• signal transduction
• transcriptional regulation
• molecular modeling
• molecular dynamics
• molecular docking
• system biology
• mathematical modeling
• meta-analysis