A detailed implementation of the Tabu Search (TS) algorithm for computer-aided molecular design (CAMD) of transition metal catalysts is presented in this paper. Previous CAMD rese...
Bao Lin, Sunitha Chavali, Kyle V. Camarda, David C...
We study the Hospitals/Residents with Couples problem, a variant of the classical Stable Marriage problem. This is the extension of the Hospitals/Residents problem where residents ...
We consider the problem of minimum distortion intrinsic correspondence between deformable shapes, many useful formulations of which give rise to the NP-hard quadratic assignment p...
Molecular dynamics simulations are a principal tool for studying molecular systems. Such simulations are used to investigate molecular structure, dynamics, and thermodynamical pro...
Sebastian Grottel, Guido Reina, Carsten Dachsbache...
Background: While high-dimensional molecular data such as microarray gene expression data have been used for disease outcome prediction or diagnosis purposes for about ten years i...