Concepedia

Structure membrane activity relationship in a family of peptide-based gemini amphiphiles: An insight from experimental and theoretical model systems

Beata Korchowiec, Marcelina Gorczyca, Jacek Korchowiec, Jenifer Rubio‐Magnieto, Ahmed H. Lotfallah, Santiago V. Luis, Ewa Rogalska

Colloids and Surfaces B Biointerfaces · 2016 · 10 citations · 40 references

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40

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations

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<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson et al. · Journal of Computational Chemistry · 1983 · 14.9K citations

, , +13

Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

Jeffery B. Klauda, Richard M. Venable, J. Alfredo Freites et al. · The Journal of Physical Chemistry B · 2010 · 4.7K citations

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Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations

Hans Christian Andersen · Journal of Computational Physics · 1983 · 3.1K citations

, , +12

NAMD2: Greater Scalability for Parallel Molecular Dynamics

Laxmikant V. Kalé, Robert D. Skeel, Milind Bhandarkar et al. · Journal of Computational Physics · 1999 · 2.5K citations

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