Background: Current scoring functions are not very successful in protein-ligand binding affinity prediction albeit their popularity in structure-based drug designs. Here, we propo...
We present wannier90, a program for calculating maximally-localised Wannier functions (MLWF) from a set of Bloch energy bands that may or may not be attached to or mixed with othe...
Arash A. Mostofi, Jonathan R. Yates, Young-Su Lee,...
maintain awareness of its environment for a long period of time. Additionally, knowledge-intensive agents must be engineered such that their knowledge can be easily updated as envi...
We introduce a new family of subdivision schemes called jet subdivision schemes. Jet subdivision schemes are a natural generalization of the commonly used subdivision schemes for ...
Internet topology analysis has recently experienced a surge of interest in computer science, physics, and the mathematical sciences. However, researchers from these different disc...
Dmitri V. Krioukov, Fan R. K. Chung, Kimberly C. C...