PDB_REDO: automated re-refinement of X-ray structure models in the PDB RP Joosten, J Salzemann, V Bloch, H Stockinger, AC Berglund, ... Journal of applied crystallography 42 (3), 376-384, 2009 | 256 | 2009 |
Grid-enabled virtual screening against malaria N Jacq, J Salzemann, F Jacq, Y Legré, E Medernach, J Montagnat, ... Journal of Grid Computing 6, 29-43, 2008 | 113 | 2008 |
WISDOM-II: Screening against multiple targets implicated in malaria using computational grid infrastructures V Kasam, J Salzemann, M Botha, A Dacosta, G Degliesposti, R Isea, ... Malaria journal 8, 1-16, 2009 | 68 | 2009 |
Design of new plasmepsin inhibitors: a virtual high throughput screening approach on the EGEE grid V Kasam, M Zimmermann, A Maaâ, H Schwichtenberg, A Wolf, N Jacq, ... Journal of chemical information and modeling 47 (5), 1818-1828, 2007 | 63 | 2007 |
Proteasome inhibitors with pyrazole scaffolds from structure-based virtual screening Z Miller, KS Kim, DM Lee, V Kasam, SE Baek, KH Lee, YY Zhang, L Ao, ... Journal of Medicinal Chemistry 58 (4), 2036-2041, 2015 | 54 | 2015 |
Virtual screening on large scale grids N Jacq, V Breton, HY Chen, LY Ho, M Hofmann, V Kasam, HC Lee, ... Parallel Computing 33 (4-5), 289-301, 2007 | 54 | 2007 |
Design and discovery of plasmepsin II inhibitors using an automated workflow on large‐scale grids G Degliesposti, V Kasam, A Da Costa, HK Kang, N Kim, DW Kim, V Breton, ... ChemMedChem: Chemistry Enabling Drug Discovery 4 (7), 1164-1173, 2009 | 49 | 2009 |
Improving e-Science with Interoperability of the e-Infrastructures EGEE and DEISA M Riedel, A Memon, M Memon, D Mallmann, A Streit, F Wolf, T Lippert, ... Proceedings of the 31st International Convention MIPRO, Conference on Grid …, 2008 | 41 | 2008 |
Integration and mining of malaria molecular, functional and pharmacological data: how far are we from a chemogenomic knowledge space? LM Birkholtz, O Bastien, G Wells, D Grando, F Joubert, V Kasam, ... Malaria journal 5, 1-24, 2006 | 37 | 2006 |
5-((1-Aroyl-1H-indol-3-yl) methylene)-2-thioxodihydropyrimidine-4, 6 (1H, 5H)-diones as potential anticancer agents with anti-inflammatory properties NR Penthala, PR Ponugoti, V Kasam, PA Crooks Bioorganic & medicinal chemistry letters 23 (5), 1442-1446, 2013 | 35 | 2013 |
Computational method to identify druggable binding sites that target protein–protein interactions H Li, V Kasam, CS Tautermann, D Seeliger, N Vaidehi Journal of chemical information and modeling 54 (5), 1391-1400, 2014 | 31 | 2014 |
Grid-added value to address malaria V Breton, N Jacq, V Kasam, M Hofmann-Apitius IEEE Transactions on Information Technology in Biomedicine 12 (2), 173-181, 2008 | 26 | 2008 |
Selective immunoproteasome inhibitors with non-peptide scaffolds identified from structure-based virtual screening V Kasam, NR Lee, KB Kim, CG Zhan Bioorganic & medicinal chemistry letters 24 (15), 3614-3617, 2014 | 25 | 2014 |
In silico drug discovery approaches on grid computing infrastructures A Wolf, M Shahid, V Kasam, W Ziegler, M Hofmann-Apitius Current clinical pharmacology 5 (1), 37-46, 2010 | 21 | 2010 |
Demonstration of in silico docking at a large scale on grid infrastructure N Jacq, J Salzemann, Y Legre, M Reichstadt, F Jacq, M Zimmermann, ... Studies in health technology and informatics 120, 155, 2006 | 21 | 2006 |
Grid enabled high throughput virtual screening against four different targets implicated in malaria J Salzemann, V Kasam, N Jacq, A Maass, H Schwichtenberg, V Breton Studies in health technology and informatics 126, 47, 2007 | 12 | 2007 |
Specific targeting of plant and Apicomplexa parasite tubulin through differential screening using in silico and assay-based approaches E Soleilhac, L Brillet-Guéguen, V Roussel, R Prudent, B Touquet, S Dass, ... International journal of molecular sciences 19 (10), 3085, 2018 | 8 | 2018 |
Large scale deployment of molecular docking application on computational grid infrastructures for combating malaria V Kasam, J Salzemann, N Jacq, A Mass, V Breton Seventh IEEE International Symposium on Cluster Computing and the Grid …, 2007 | 8 | 2007 |
High throughput grid enabled virtual screening V Breton, V Kasam, N Jacq Proceedings of the NETTAB2006: Santa Margherita, 14-18, 2006 | 7 | 2006 |
Direct use of information extraction from scientific text for modeling and simulation in the life sciences M Hofman‐Apitius, E Younesi, V Kasam Library hi tech 27 (4), 505-519, 2009 | 6 | 2009 |