Concepedia

Equilibrium unfolding of cyclophilin from Leishmania donovani: Characterization of intermediate states

Sourav Roy, Sankar Basu, Alok K. Datta, Dhananjay Bhattacharyya, Rahul Banerjee, Dipak Dasgupta

International Journal of Biological Macromolecules · 2014 · 18 citations · 30 references

DOI

Concepts

References

30

VMD: Visual molecular dynamics

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

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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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AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules

David A. Pearlman, David A. Case, James W. Caldwell et al. · Computer Physics Communications · 1995 · 3.1K citations

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Knowledge‐based protein secondary structure assignment

Dmitrij Frishman, Patrick Argos · Proteins Structure Function and Bioinformatics · 1995 · 2.6K citations

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