Application of Computational Methods in Drug Design
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".
Deadline for manuscript submissions: closed (15 November 2018) | Viewed by 44547
Special Issue Editors
Interests: medicinal chemistry; computational chemistry; 3D-QSAR; machine learning; drug design; extraction of natural compounds; essential oil
Special Issues, Collections and Topics in MDPI journals
Interests: biochemistry; computer aided drug design; cheminformatics; bioinformatics
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
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 RagnoProf. Milan Mladenović
Guest Editors
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Keywords
- 3-D QSAR
- Drug Design
- Molecular Docking
- Ligand-based alignment
- Computational Medicinal Chemistry
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