Cutting-Edge Computational Biochemistry in Europe
Deadline for manuscript submissions: closed (31 March 2023) | Viewed by 4001
Interests: computational enzymatic catalysis; QM/MM; docking; virtual screening; molecular dynamics simulations
Special Issues, Collections and Topics in MDPI journals
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
Manuscript Submission Information
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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.
- computational enzymology
- biomolecular simulations
- computational drug discovery