Special Issue "Biomolecules In Silico: Contemporary Advances in Computational Approaches to Investigating the Molecular Dynamics of Biological Systems"
Deadline for manuscript submissions: 31 March 2021.
2. Dept. of Clinical Genomics, Mayo Clinic, Rochester, MN 55902, USA
Interests: neurodegeneration drugs and mechanism; cancer mechanisms and drugs (general); brain lymphoma and GBM drugs; dual inhibitors to slow tumorogenesis; drug and technology development; machine learning and deep learning algorithms for drug design; advanced molecular modeling techniques for meso-to-exascale conformational sampling
Molecular dynamics simulations allow us to investigate physically realistic behaviors of biological systems in exquisite spatial and temporal resolution. This information is utilized to elucidate an array of biophysical characteristics, such as stability in different conditions, relative propensity to adopt relevant conformations, discovery of transient binding pockets, etc. Molecular dynamics simulations are employed to garner a fundamental understanding of macromolecules that can be applied from basic science to drug discovery. In this Special Issue, we report current advancements in algorithms, software, and analytical techniques that are related to molecular dynamics simulations of biological systems.
Dr. Thomas R. Caulfield
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 papers will be 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. Biomolecules is an international peer-reviewed open access monthly 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 2000 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.
- molecular dynamics simulation
- in silico design
- statistical mechanics
- enhanced sampling
- conformational sampling