Cutting-Edge Computational Biochemistry in Europe
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Computational and Theoretical Chemistry".
Deadline for manuscript submissions: closed (31 March 2023) | Viewed by 4323
Special Issue Editor
Interests: computational enzymatic catalysis; QM/MM; docking; virtual screening; molecular dynamics simulations
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Computational biochemistry is a broad scientific area of research that applies computational methods to study biochemical problems. It lies at the interface between biology, chemistry, physics and computer science/informatics and involves the structural and functional characterization of biosystems at the molecular level, including proteins, enzymes, carbohydrates, nucleic acids, lipids, etc. This is accomplished through the application of different computational methods based on a diversity of physical approaches, including classical molecular mechanics, quantum mechanics, hybrid quantum mechanical/molecular mechanics approaches, free energy calculations, docking and virtual screening.
This Special Issue is dedicated to research efforts from European laboratories in the field of computational biochemistry, including computational enzymology, the study of the dynamics of biomolecules, molecular recognition phenomena, conformational alterations, protein–ligand interactions, and protein folding, among many others. Particular emphasis is put on new methodological developments and algorithms in this rapidly evolving field. Original research articles, reviews, or communications within the scope of computational biochemistry and from researchers based at any Europeean university or scientific institution are welcome.
Dr. Sérgio F. Sousa
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. 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.
Keywords
- computational enzymology
- QM/MM
- biomolecular simulations
- computational drug discovery
