Special Issue "A Systematic Development Method for Rational Drug Design"
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry, Theoretical and Computational Chemistry".
Deadline for manuscript submissions: closed (28 February 2011)
Dr. Dooil Kim
Korea Research Institute of Bioscience and Biotechnology, Systems Microbiology Research Center, Deajeon 305-806, South Korea
Phone: +82 42 860 4135
Fax: +82 42 860 4597
Interests: bioinformatics; database development; comparative genomics; cheminformatics; molecular modeling; computer aided drug design
Traditionally drug discovery used to be a trial and error process, where chemical compounds from plant and other natural extracts were proposed for action against a disease and then tested for the compounds’ effectiveness in curing the disease on animal or tissue based models. Drug discovery process has now evolved into a much more scientific and rational process due to better understanding of the biological processes and the underlying chemistry, owing to the progress made due to advances in high throughput experimental techniques and availability of high performance computation resources. The process has matured to the stage where drugs are designed now rather than being discovered.
Dr. Dooil Kim
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. Papers will be published continuously (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as 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 refereed through a 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 monthly journal published by MDPI.
- drug design
- machine learning
- data mining
- high throughput screening
Article: Application of Molecular Topology for the Prediction of Reaction Yields and Anti-Inflammatory Activity of Heterocyclic Amidine Derivatives
Int. J. Mol. Sci. 2011, 12(2), 1281-1292; doi:10.3390/ijms12021281
Received: 12 January 2011 / Accepted: 12 February 2011 / Published: 22 February 2011| Download PDF Full-text (383 KB) | Download XML Full-text
Int. J. Mol. Sci. 2011, 12(4), 2262-2274; doi:10.3390/ijms12042262
Received: 1 March 2011; in revised form: 25 March 2011 / Accepted: 29 March 2011 / Published: 1 April 2011| Download PDF Full-text (305 KB) | Download XML Full-text
Int. J. Mol. Sci. 2011, 12(6), 3740-3756; doi:10.3390/ijms12063740
Received: 14 March 2011; in revised form: 16 May 2011 / Accepted: 23 May 2011 / Published: 8 June 2011| Download PDF Full-text (787 KB) | Download XML Full-text
Int. J. Mol. Sci. 2011, 12(6), 4027-4052; doi:10.3390/ijms12064027
Received: 27 February 2011; in revised form: 3 June 2011 / Accepted: 3 June 2011 / Published: 15 June 2011| Download PDF Full-text (729 KB) | Download XML Full-text
Int. J. Mol. Sci. 2011, 12(8), 5304-5318; doi:10.3390/ijms12085304
Received: 23 February 2011; in revised form: 4 August 2011 / Accepted: 11 August 2011 / Published: 17 August 2011| Download PDF Full-text (586 KB) | Download XML Full-text
Last update: 26 September 2012