Yongliang Yang

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The accurate prediction of protein-ligand binding is of great importance for rational drug design. We present herein a novel docking algorithm called as FIPSDock, which implements a variant of the Fully Informed Particle Swarm (FIPS) optimization method and adopts the newly developed energy function of AutoDock 4.20 suite for solving flexible protein-ligand(More)
— One of the major limitations for Atomic Force Microscopy (AFM) based nanoparticle pushing is that AFM only has one sharp tip as the end-effector. The interaction force between the nanoparticle and the tip is applied through a single point, which often leads the AFM tip to slip-away from the nanoparticle due to their small touch area. Then several minutes(More)
Three new virtual databases have been developed for use with the bond-orientation-based database searching program CAVEAT. These consist of a database of trisubstituted monocyclic hydrocarbons having ethyl, vinyl, and phenyl substituents; a database of unsubstituted bicyclic hydrocarbons; and a database of core structures from established combinatorial(More)
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