Research & Reviews: A Journal of Bioinformatics

ISSN: 2393-8722

Editors Overview

rrjobi maintains an Editorial Board of practicing researchers from around the world, to ensure manuscripts are handled by editors who are experts in the field of study.

Open Access
Special Issue
Topic

Molecular dynamic simulations are used for drug design

Abstract Submission Deadline : November 30, 2023

Manuscript Submission Deadline : December 25, 2023

Special Issue Description

Molecular dynamics (MD) is a computational tool for simulating molecular system motions. The method necessitates an interaction potential from which interatomic forces can be calculated, as well as equations of motion that govern the system’s dynamics. MD simulations take a sample of the configuration space and generate a trajectory that tracks molecular movements over time. MD simulations, which were initially developed to study liquid-state properties, are now routinely applied to macromolecular systems of biological and pharmaceutical interest. Applications include the refinement of experimentally determined structures, conformational analysis, protein homology modeling, atomic-level elucidation of biochemical, biophysical mechanisms, biomolecular complex docking, and a variety of approaches for calculating free energy changes. The majority of these tasks are important in structure-based drug design.

Keywords

Molecular simulation, Molecular dynamics, Docking, Protein homology, Drug design

Manuscript Submission information

Manuscripts should be submitted online via the manuscript Engine. Once you register on APID, 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 email address:[email protected] 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 Double-blind peer-review process. A guide for authors and other relevant information for the submission of manuscripts is available on the Instructions for Authors page.

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