Applications of Computational Chemistry Methods in Viral Diseases Research

Dear Colleagues,

Computational chemistry has achieved maturity and, nowadays, is one of the central scientific fields in the pharmaceutical industry. It is crucial for planning the early stages of drug design projects, such as designing more efficient and economic synthetic routes for chemical administration, the screening of huge databases, as well as proposing hypotheses for the probable mechanisms of action of drugs in biological systems. Such endeavors are extremely complex and require the usage of modern and sophisticated approaches, such as artificial intelligence, data science, computational molecular simulations through classical mechanics and quantum mechanics, cheminformatics, applied mathematics, and biostatistics. This Special Issue of Molecules is dedicated to the application of these methods in medicinal computational chemistry, and we invite our fellow scientists to submit original papers or reviews that will enrich the state of the art in this field.

We look forward to your contribution.

Prof. Dr. Osvaldo Andrade Santos-Filho
Prof. Dr. Teodorico C. Ramalho
Guest Editors

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 250 words) can be sent to the Editorial Office for assessment.

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. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). 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.