Special Issue "Molecular Docking in Drug Design"
Deadline for manuscript submissions: closed (31 March 2015)
Prof. Dr. 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
Website | E-Mail
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
Molecular docking is an invaluable tool in modern drug discovery and design. In this special issue, a number of articles in the field of molecular docking applied to the drug design world will be published. Although many algorithms have been disclosed and new docking programs are constantly released, there is still much to do. The great difficulty in any docking program is the ability to recognize the right pose among the generated conformations. To face this problem, many authors have proposed different approaches like consensus scoring, consensus docking and external independent scoring, but no one has yes reached a good level to definitively assess the docking of a given small molecule into the desired target.
Therefore, there is still the need to improve molecular docking and the main goal of this special issue is to report the newest approaches in molecular docking application to drug design.
Prof. Dr. Rino Ragno
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.
- molecular docking
- molecular recognition
- structure based drug design
- scoring function
- cross docking
- ensemble docking
- flexible docking
- binding mode
- docking assessment