In the present work we describe architectural concepts of the distributed molecular simulation package GridMD. The main purpose of this work is to underline the construction patter...
Load-reuse analysis finds instructions that repeatedly access the same memory location. This location can be promoted to a register, eliminating redundant loads by reusing the re...
Theoretical models for the evaluation of quickly improving search strategies, like limited discrepancy search, are based on specific assumptions regarding the probability that a va...
Background: Cellular metabolism is one of the most investigated system of biological interactions. While the topological nature of individual reactions and pathways in the network...
Background: The principles of protein folding and evolution pose problems of very high inherent complexity. Often these problems are tackled using simplified protein models, e.g. ...