Biomolecules In Silico: Contemporary Advances in Computational Approaches to Investigating the Molecular Dynamics of Biological Systems

Dear Colleagues,

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 Topical Collection, we report current advancements in algorithms, software, and analytical techniques that are related to molecular dynamics simulations of biological systems.

Dr. Thomas R. Caulfield
Dr. Manikandan Selvaraj
Collection 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. 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 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.