Computer-Aided Drug Design
A special issue of Computation (ISSN 2079-3197).
Deadline for manuscript submissions: closed (15 September 2019) | Viewed by 7478
Special Issue Editor
Interests: drug design; medicinal chemistry; molecular modelling; antibacterial agents; anticancer agents
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Computer-aided drug design (CADD) is a state-of-the-art method used in academic institutions and pharmaceutical companies to develop new drugs. CADD is used in all steps of the drug discovery process, from hit identification, hit expansion, to hit-to-lead and lead optimization. It enables an efficient design–synthesis–biological evaluation optimization cycle to improve on-target activity, to eliminate off-target activities and to improve physico-chemical and ADMET properties.
In this Special Issue of Computation we invite researchers to submit full research papers, communications and review articles reporting recent advances in computer-aided drug design, successful case studies reporting the identification and optimization of new bioactive compounds using CADD, and studies describing CADD applications to understand the interaction of small molecules and relevant macromolecular targets.
Dr. Tihomir Tomašič
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. Computation 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 1800 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.
Keywords
- molecular modelling
- docking
- 3D-pharmacophore modelling
- virtual screening
- molecular dynamics simulations
- chemoinformatics
- QSAR
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