The bioactivity of a molecule strongly depends on its metastable conformational shapes and the transitions between these. Therefore, conformation analysis and visualization is a b...
Johannes Schmidt-Ehrenberg, Daniel Baum, Hans-Chri...
Background: Successful realization of a "systems biology" approach to analyzing cells is a grand challenge for our understanding of life. However, current modeling appro...
Abstract— This paper introduces the optimization of a Quantum Control application, the so-called molecular alignment problem, subject to a dynamic environment. Given the relative...
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...
Molecular modeling is an important research area, helping scientists develop new drugs against diseases such as AIDS and cancer. Prior studies have demonstrated that immersive vir...
Jeffrey W. Chastine, Jeremy C. Brooks, Ying Zhu, G...