Recent Advances in Virtual Screening 3.0
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 (30 June 2023) | Viewed by 1909
Special Issue Editor
Interests: drug discovery; drug design
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
This Special Issue is the continuation of our previous special issue "Recent Advances in Virtual Screening 2.0".
Finding new leads is an essential step in projects to develop and discover new drugs. There are two alternatives for achieving this goal: (a) experimentally testing compound libraries to find molecules that show any level of the desired bioactivity (a process known as high throughput screening) and (b) a cheaper alternative that aims to computationally predict the bioactivity of interest in files containing molecular databases (known as virtual screening, VS). This Special Issue of IJMS will focus on recent advances in VS with particular emphasis on tools (either local or on-line) or databases that can be used for free for non-profit research or education.
"Novel tools and VS must be either validated in silico or in vitro before first submission."
Dr. Gerard Pujadas
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
- drug discovery
- protein-ligand docking
- pharmacophore screening
- lead discovery
- molecular databases
- bioactivity prediction
