Concepedia

Bridging Timescales and Length Scales: From Macroscopic Flux to the Molecular Mechanism of Antibiotic Diffusion through Porins

Eric Hajjar, Kozhinjampara R. Mahendran, Amit Kumar, Andrey Bessonov, Mircea Petrescu, Helge Weingart, Paolo Ruggerone, Mathias Winterhalter, Matteo Ceccarelli

Biophysical Journal · 2010 · 49 citations · 28 references

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28

VMD: Visual molecular dynamics

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

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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly et al. · Journal of the American Chemical Society · 1995 · 13.1K citations

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Escaping free-energy minima

Alessandro Laio, Michele Parrinello · Proceedings of the National Academy of Sciences · 2002 · 5.7K citations · Full text

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Crystal structures explain functional properties of two E. coli porins

Sandra W. Cowan, Tilman Schirmer, Gabriele Rummel et al. · Nature · 1992 · 1.5K citations

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Antibiotic-Resistant Bugs in the 21st Century — A Clinical Super-Challenge

César A. Arias, Barbara E. Murray · New England Journal of Medicine · 2009 · 1K citations · Full text

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