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Hot Spot Analysis for Driving the Development of Hits into Leads in Fragment-Based Drug Discovery.

, , , , and . Journal of Chemical Information and Modeling, 52 (1): 199-209 (2012)

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Evidence of Conformational Selection Driving the Formation of Ligand Binding Sites in Protein-Protein Interfaces., , and . PLoS Comput. Biol., (2014)Consensus alignment for reliable framework prediction in homology modeling., , , and . Bioinform., 19 (13): 1682-1691 (2003)An extended ode solver for sensitivity calculations., and . Comput. Chem., 8 (4): 255-271 (1984)A new approach to rigid body minimization with application to molecular docking., , , , , and . CDC, page 2983-2988. IEEE, (2012)Clustering versus Scoring for the Identification of Near-Native Poses in Protein-Ligand Docking., , and . BIOCOMP, page 1028-1032. CSREA Press, (2008)Homology Modeling of Proteins Using Multiple Models and Consensus Sequence Alignment., , , and . WABI, volume 2812 of Lecture Notes in Computer Science, page 389-401. Springer, (2003)Optimizing noisy funnel-like functions on the euclidean group with applications to protein docking., , , and . CDC, page 4545-4550. IEEE, (2007)Optimization on the space of rigid and flexible motions: An alternative manifold optimization approach., , , , , and . CDC, page 5825-5830. IEEE, (2014)Hot Spot Analysis for Driving the Development of Hits into Leads in Fragment-Based Drug Discovery., , , , and . Journal of Chemical Information and Modeling, 52 (1): 199-209 (2012)Fragment-based identification of druggable 'hot spots' of proteins using Fourier domain correlation techniques., , , , , , , and . Bioinform., 25 (5): 621-627 (2009)