TY - JOUR
T1 - Computational challenges for modeling and simulating biomacromolecular assemblies
AU - Uberbacher, Ed
AU - LoCascio, Philip
AU - Passovets, Sergey
AU - Ghattyvenkatakrishna, Pavan
AU - Agarwal, Pratul
AU - Arnold, Nikita
AU - Bordner, Andrew
AU - Gorin, Andrey
PY - 2006/10/1
Y1 - 2006/10/1
N2 - Understanding the structure and dynamics of large biomolecular assemblies requires the development of new computational methods for (i) accurate structure prediction, (ii) molecular docking and (iii) long time-frame molecular simulation, and implementation on massively parallel computing infrastructure. This paper reviews our progress in these areas and applications on important molecular systems.
AB - Understanding the structure and dynamics of large biomolecular assemblies requires the development of new computational methods for (i) accurate structure prediction, (ii) molecular docking and (iii) long time-frame molecular simulation, and implementation on massively parallel computing infrastructure. This paper reviews our progress in these areas and applications on important molecular systems.
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U2 - 10.1088/1742-6596/46/1/043
DO - 10.1088/1742-6596/46/1/043
M3 - Article
AN - SCOPUS:33749076405
SN - 1742-6588
VL - 46
SP - 311
EP - 315
JO - Journal of Physics: Conference Series
JF - Journal of Physics: Conference Series
IS - 1
M1 - 043
ER -