Concepedia

Exploration of the valproic acid binding site on histone deacetylase 8 using docking and molecular dynamic simulations

Jorge Antonio Bermúdez-Lugo, Oscar Alberto Pérez-González, Martha Cecilia Rosales‐Hernández, Ian Ilizaliturri‐Flores, José G. Trujillo‐Ferrara, José Correa‐Basurto

Journal of Molecular Modeling · 2011 · 34 citations · 37 references

DOI

Concepts

References

37

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

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Clustal W and Clustal X version 2.0

Mark Larkin, Gordon Blackshields, Nigel P. Brown et al. · Bioinformatics · 2007 · 29.1K citations · Full text

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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen · Journal of Computational Physics · 1977 · 21.5K citations

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Scalable molecular dynamics with NAMD

J. C. Phillips, Rosemary Braun, Wei Wang et al. · Journal of Computational Chemistry · 2005 · 17.4K citations · Full text

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All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

Alexander D. MacKerell, Donald Bashford, M. Bellott et al. · The Journal of Physical Chemistry B · 1998 · 14.5K citations

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