8 Publications
2009
Conformational analysis of macrocycles: finding what common search methods miss.
Bonnet, Pascal⋅Agrafiotis, Dimitris⋅Zhu, Fangqiang and Martin, Eric
Journal of chemical information and modeling, vol. 49, (no. 10), pp. 2242-59, 2009/Oct. | Journal Article
2007
Advanced Biological and Chemical Discovery (ABCD): Centralizing Discovery Knowledge in an Inherently Decentralized World
Agrafiotis, Dimitris⋅Alex, Simson⋅Dai, Heng⋅Derkinderen, An⋅Farnum, Michael⋅Gates, Peter⋅Izrailev, Sergei⋅Jaeger, Edward P⋅Konstant, Paul⋅Leung, Albert⋅Lobanov, Victor S⋅Marichal, Patrick⋅Martin, Douglas⋅Rassokhin, Dmitrii N⋅Shemanarev, Maxim⋅Skalkin, Andrew⋅Stong, John⋅Tabruyn, Tom⋅Vermeiren, Marleen⋅Wan, Jackson⋅Xu, Xiang Y and Yao, Xiang
Journal of Chemical Information and Modeling, vol. 47, (no. 6), Nov 2007. | Journal Article
 
Conformational Sampling of Bioactive Molecules: A Comparative Study
Agrafiotis, Dimitris⋅Gibbs, Alan C⋅Zhu, Fangqiang⋅Izrailev, Sergei and Martin, Eric
Journal of Chemical Information and Modeling, vol. 47, (no. 3), May 2007. | Journal Article
 
Radial Clustergrams: Visualizing the Aggregate Properties of Hierarchical Clusters
Agrafiotis, Dimitris⋅Bandyopadhyay, Deepak and Farnum, Michael
Journal of Chemical Information and Modeling, vol. 47, (no. 1), pp. 69, Jan 2007. | Journal Article
 
Recent Advances in Chemoinformatics
Agrafiotis, Dimitris⋅Bandyopadhyay, Deepak⋅Wegner, Jörg K and Vlijmen, Herman v
Journal of Chemical Information and Modeling, vol. 47, (no. 4), Jul 2007. | Journal Article
 
Recursive Distance Partitioning Algorithm for Common Pharmacophore Identification
Zhu, Fangqiang and Agrafiotis, Dimitris
Journal of Chemical Information and Modeling, vol. 47, (no. 4), Jul 2007. | Journal Article
 
SAR maps: a new SAR visualization technique for medicinal chemists.
Agrafiotis, Dimitris⋅Shemanarev, Maxim⋅Connolly, Peter J⋅Farnum, Michael and Lobanov, Victor S
Journal of medicinal chemistry, vol. 50, (no. 24), pp. 5926-37, 2007/Nov/29. | Journal Article
 
Self-organizing superimposition algorithm for conformational sampling
Zhu, Fangqiang and Agrafiotis, Dimitris
Journal of Computational Chemistry, vol. 28, (no. 7), May 2007. | Journal Article