Concepedia

Characterization of diadzein–hemoglobin binding using optical spectroscopy and molecular dynamics simulations

Bidisha Sengupta, Sandipan Chakraborty, Maurice Crawford, Jasmine Taylor, Laura E. Blackmon, Pradip Kumar Biswas, Wolfgang Krämer

International Journal of Biological Macromolecules · 2012 · 40 citations · 35 references

DOI

Concepts

References

35

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

Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

Garrett M. Morris, David S. Goodsell, Robert S. Halliday et al. · Journal of Computational Chemistry · 1998 · 10.8K citations

, , +17

Unified Approach for Molecular Dynamics and Density-Functional Theory

Roberto Car, Michele Parrinello · Physical Review Letters · 1985 · 10.7K citations · Full text

, , +15

GROMACS 3.0: a package for molecular simulation and trajectory analysis

Erik Lindahl, Berk Hess, David van der Spoel · Journal of Molecular Modeling · 2001 · 7K citations

, , +12

Thermodynamics of protein association reactions: forces contributing to stability

Philip D. Ross, Sankaran Subramanian · Biochemistry · 1981 · 5.5K citations

, , +15