Structure, Energy, and Dynamics of Molecular Interactions 2.0
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Biology".
Deadline for manuscript submissions: 10 June 2024 | Viewed by 481
Special Issue Editors
Interests: proteins; molecular structure; thermodynamics; drug design; chemoinformatics
Special Issues, Collections and Topics in MDPI journals
Interests: theoretical and computer chemistry; malaria drug development
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
The organization of matter is based on intra- and intermolecular interactions. Understanding the structure and thermodynamics of molecular interactions is therefore key to answering to the challenges of drug design and the development of new materials with unusual properties. Whereas molecular interactions occur in such distant challenges of living nature and lifeless industrial plants, the same physicochemical laws apply to both situations. The present Special Issue aims to demonstrate the diversity of research focusing on the solution of important issues in understanding molecular interactions via experimental measurements and/or theoretical calculations. Contributions are welcome from all fields of method development, theory, and applications. The Special Issue covers both living nature and inorganic materials. Studies connecting the dynamics of molecular interactions to natural phenomena are of particular interest.
Dr. Csaba Hetényi
Dr. Uko Maran
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 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.
Keywords
- binding
- conformation
- affinity
- complex
- energy
- structure
- isothermal titration calorimetry
- crystallography
- molecular mechanics
- quantum chemistry
- quantitative structure–activity relationship
- reaction kinetics
- inhibitor
- substrate
- target
- ligand
- receptor
- surface
- interface
