Concepedia

Structural properties of the truncated and wild types of Taka-amylase: A molecular dynamics simulation and docking study

Mohammad Reza Housaindokht, Mohammad Reza Bozorgmehr, Hossein Eshtiagh‐Hosseini, Razieh Jalal, Ahmad Asoodeh, Mahin Saberi, Zeinab Haratipour, Hassan Monhemi

Journal of Molecular Catalysis B Enzymatic · 2013 · 14 citations · 44 references

DOI

Concepts

References

44

Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 30.7K citations · Full text

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AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 25K citations · Full text

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Development and testing of a general amber force field

Junmei Wang, Romain M. Wolf, James W. Caldwell et al. · Journal of Computational Chemistry · 2004 · 19.6K citations

, , +17

LINCS: A linear constraint solver for molecular simulations

Berk Hess, Henk Bekker, Herman J. C. Berendsen et al. · Journal of Computational Chemistry · 1997 · 17.1K citations

, , +14

Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models

Shuichi Miyamoto, Peter A. Kollman · Journal of Computational Chemistry · 1992 · 7.6K citations

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