Concepedia

Chirality Effects on Peptide Self-Assembly Unraveled from Molecules to Materials

Ana M. García, Daniel Iglesias, Evelina Parisi, Katie E. Styan, Lynne J. Waddington, Caterina Deganutti, Rita De Zorzi, Mario Grassi, Michele Melchionna, Attilio V. Vargiu,

Chem · 2018 · 215 citations · 38 references

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38

VMD: Visual molecular dynamics

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

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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

, , +17

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text

, , +17

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

, , +17

Constant pressure molecular dynamics simulation: The Langevin piston method

Scott E. Feller, Yuhong Zhang, Richard W. Pastor et al. · The Journal of Chemical Physics · 1995 · 4.5K citations

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