Atomistic and Coarse-Grained Simulations in Biological Systems
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Biophysics".
Deadline for manuscript submissions: closed (24 June 2019) | Viewed by 11068
Special Issue Editor
Special Issue Information
Dear colleagues,
Classical molecular dynamics (MD) simulation of proteins has emerged as a complementary tool to experiments. Its appeal to fully describe biomolecular structures and dynamics at an atomistic level, combined with advancements in computer hardware and algorithms, have led to an ever-growing interest in simulations of increasing size and length.
These last two decades, molecular simulation has emerged as a very powerful method and complementary tool to experiments to investigate matter at the nanoscale and has greatly benefited the understanding of microscopic mechanisms ruling the biomolecular processes, such as folding protein, hydration biomolecules, supramolecular assemblies, etc. To correctly investigate them at the molecular level and to capture their structural, dynamical and thermodynamical properties, many computational efforts have been devoted to developing atomistic and mesoscopic models and methodologies to sample large time and spatial scales. The growing developments in these fields have motivated us to launch this Special Issue on "Atomistic and Coarse-grained Simulations in Biological Systems" in the International Journal of Molecular Sciences. We expect that it will offer the computational community an opportunity to expose and review the latest and most significant achievements in these domains.
As an expert in this field, we are very pleased to invite you to submit original papers, communications, and reviews for this Special Issue of IJMS, an MDPI open-access journal (IF 3.687). We have fixed a deadline for June 2019.
Thank you for your time and consideration, we look forward to hearing from you and receiving your contribution to this Special Issue.
Prof. Aziz Ghoufi
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. 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
- molecular simulations
- coarse graining
- protein
- hydration
- biomolecules
- folding
- assemblies
Benefits of Publishing in a Special Issue
- Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
- Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
- Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
- External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
- e-Book format: Special Issues with more than 10 articles can be published as dedicated e-books, ensuring wide and rapid dissemination.
Further information on MDPI's Special Issue polices can be found here.