Concepedia

Interaction of cetyltrimethylammonium bromide with drug in aqueous/electrolyte solution: A combined conductometric and molecular dynamics method study

Md. Anamul Hoque, Md. Masud Alam, Mohammad Robel Molla, Shahed Rana, Malik Abdul Rub, Mohammad A. Halim, Mohammed Abdullah Khan, Farida Akhtar

Chinese Journal of Chemical Engineering · 2017 · 68 citations · 52 references

DOI

Concepts

References

52

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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ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

James Maier, Carmenza Martinez, Koushik Kasavajhala et al. · Journal of Chemical Theory and Computation · 2015 · 11.1K citations

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UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Anthony K. Rappé, C. J. Casewit, K. S. Colwell et al. · Journal of the American Chemical Society · 1992 · 10.4K citations

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Making optimal use of empirical energy functions: Force‐field parameterization in crystal space

Elmar Krieger, Tom Darden, Sander B. Nabuurs et al. · Proteins Structure Function and Bioinformatics · 2004 · 861 citations · Full text

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Effect of Hydrophobic Chain Length of Surfactants on Enthalpy−Entropy Compensation of Micellization

Li‐Jen Chen, Shi‐Yow Lin, Chiung-Chang Huang · The Journal of Physical Chemistry B · 1998 · 349 citations

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