GitHub

Protein-GAG Docking tutorial:

1. Obtain Protein and GAG Structure for docking: In this tutorial, we will be docking a Heparan sulfate (HS) tetrasaccharide to human HS 3-O-sulfotransferase isoform 3 (3-OST-3), a key ...
GitHub

AutoDock-GPU: AutoDock for GPUs and other accelerators

Gradient-based local search methods (e.g. ADADELTA), as well as an improved version of Solis-Wets from AutoDock 4. Cuda and OpenCL paths to support a wide variety of target platforms based on GPU as ...
C&EN

Electrochemical Immunosensors for Effective Evaluation of Amyloid-Beta Modulators on Oligomeric and Fibrillar Aggregation Processes

‡ Centre for the Neurobiology of Stress, Department of Biological Sciences, University of Toronto Scarborough, 1265 Military Trail, Toronto, ON M1C 1A4, Canada Article Views are the COUNTER-compliant ...
SciELO

From Origin to Current Methods: An Overview of Molecular Modeling Applied to Medicinal Chemistry in the Last 30 Years

Molecular modeling soon attracted the attention of Medicinal Chemistry researchers, given the importance of molecular structure for understanding the mode of action and for designing bioactive ...