Robert Lang's Universal Molecule algorithm, a landmark in modern computational origami, is the main component of his widely used TreeMaker program for origami design. It computes a crease pattern of a convex polygonal region, starting with a compatible ...
Display Omitted MD simulations were carried out for the FimH lectin domain from UPEC J96.The high affinity state lectin domain was found to be largely rigid and stable.Two sequence motifs were designed around a functionally important ...
Display Omitted Binding poses of antivirals to monomers and hexameric bundles of p7 of HCV.Guanidine based ligands bind better than derivatives of adamantanes and iminosugars.Binding of the best candidates is at the site of the loop.Hydrogen bonding and ...
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