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Current Computer-Aided Drug Design|April 10, 2013
Molecular docking and ADME studies of natural compounds of Agarwood oil for topical anti-inflammatory activityDharmendra K Yadav, Vipin Mudgal, Jyoti Agrawal, et al.Current Computer-Aided Drug Design|January 9, 2013
Biomedical data integration in computational drug design and bioinformaticsJose A Seoane, Vanessa Aguiar-Pulido, Cristian R Munteanu, et al.Current Computer-Aided Drug Design|December 18, 2013
Applications of docking and molecular dynamic studies on the search for new drugs against the biological warfare agents Bacillus anthracis and Yersinia pestisTanos Celmar Costa França, Ana Paula Guimarães, Wilian Augusto Cortopassi, et al.Current Computer-Aided Drug Design|June 25, 2013
In silico pharmacophore modeling on known pyridinium oxime reactivators of cyclosarin (GF) inhibited AChE to Aid discovery of potential, more efficacious novel non-oxime reactivatorsApurba K Bhattacharjee, Kamil Musilek, Kamil KucaCurrent Computer-Aided Drug Design|May 25, 2013
Molecular design and QSARs/QSPRs with molecular descriptors familySorana D Bolboacă, Lorentz Jäntschi, Mircea V DiudeaCurrent Computer-Aided Drug Design|May 25, 2013
Structural similarity and descriptor spaces for clustering and development of QSAR modelsIrene Luque Ruiz, Gonzalo Cerruela García, Miguel Angel Gómez-NietoCurrent Computer-Aided Drug Design|September 10, 2013
In silico stereo-electronic analysis of PMD (p-Menthane-3-8-Diol) and its derivatives for pharmacophore development may aid discovery of novel insect repellentsApurba K BhattacharjeeCurrent Computer-Aided Drug Design|September 10, 2013
Exploration of important sites of antimalarial Endochins for optimum structural modification using group-based QSAR (G-QSAR) modelingProbir Kumar Ojha, Kunal RoyCurrent Computer-Aided Drug Design|September 10, 2013
Accelerating quantum chemistry calculations with graphical processing units - toward in high-density (HD) silico drug discoveryYohsuke Hagiwara, Kazuki Ohno, Masaya Orita, et al.Current Computer-Aided Drug Design|September 10, 2013
Ligand based validated comparative chemometric modeling and pharmacophore mapping of aurone derivatives as antimalarial agentsNilanjan Adhikari, Amit Kumar Halder, Chanchal Mondal, et al.Pageof 82