Balancing Target Flexibility and Target Denaturation in Computational Fragment-Based Inhibitor Discovery, Journal of Computational Chemistry September 17, 2015 Continue Reading
Inclusion of Multiple Fragment Types in the Site Identification by Ligand Competitive Saturation (SILCS) Approach, Journal of Chemical Information and Modeling Continue Reading
Site-Specific Fragment Identification Guided by Single-Step Free Energy Perturbation Calculations, Journal of Chemical Theory and Computation Continue Reading
The novel BH3 α-helix mimetic JY-1-106 induces apoptosis in a subset of cancer cells (lung cancer, colon cancer and mesothelioma) by disrupting Bcl-xL and Mcl-1 protein-protein interactions with Bak, Molecular Cell Continue Reading
Site-Identification by Ligand Competitive Saturation (SILCS) assisted pharmacophore modeling, Journal of Computer Aided Molecular Design Continue Reading
Reproducing Crystal Binding Modes of Ligand Functional Groups using Site-Identification by Ligand Competitive Saturation (SILCS) Simulations, Journal of Chemical Information and Modeling Continue Reading
Computational Fragment-Based Binding Site Identification by Ligand Competitive Saturation, PLoS Computational Biology September 12, 2015 Continue Reading
