Special Issue "Application of Computational Methods in Drug Design"
Deadline for manuscript submissions: closed (15 November 2018)
Prof. Rino Ragno
Rome Center for Molecular Design, Dipartimento di Chimica e Tecnologie del Farmaco, Sapienza Università di Roma, P. le A. Moro 5, 00185 Roma, Italy
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Interests: design and synthesis of bioactive compounds; development of new 3-D QSAR procedures and their application in drug design; molecular docking in drug design; extraction of bioactive compounds from natural sources
Prof. Milan Mladenović
Kragujevac Center for Computational Biochemistry, University of Kragujevac, Faculty of Science, Radoja Domanovića 12, 34000 Kragujevac, Republic of Serbia
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Interests: design and synthesis of bioactive compounds; development of new 3-D QSAR procedures and their application in drug design; structure-based and ligand-based drug design; in vitro–in vivo assays in drug design
The proposed workshop, entitled “DesignIT-TO-LEAD: 1st Computational Medicinal Chemistry WorkShop” is intended as a first trial to establish regular workshops in drug design on a biennual based frequency. The DesignIT-TO-LEAD will be organized at the Faculty of Science, University of Kragujevac, Republic of Serbia, from from September 3rd to September 8th, 2018.
The contribution of computational methodologies to drug discovery is no longer a matter of dispute, and all major world pharmaceutical and biotechnology companies use computational design tools. Computer-aided drug design encompasses computational methods and resources that are used to facilitate the design and discovery of new bioactive chemical entities.
This workshop “DesignIT-TO-LEAD: 1st Computational Medicinal Chemistry WorkShop” will cover the main computational techniques currently used in the drug discovery process, supplying a basic level of knowledge of this field. All the presented computational approaches will focus mainly on the development of three-dimensional quantitative structure–activity relationships (3-D QSAR) and related tools.
The course will be divided into theoretical lesson and practical sessions with the aim of allowing participants to independently apply the computational techniques to their own projects.Prof. Rino Ragno
Prof. Milan Mladenović
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 papers will be 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. Molecules 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.
- 3-D QSAR
- Drug Design
- Molecular Docking
- Ligand-based alignment
- Computational Medicinal Chemistry