CHARMM-GUI Membrane Builder: Past, Current, and Future Developments and Applications

Molecular dynamics simulations of membranes and membrane proteins serve as computational microscopes, revealing coordinated events at the membrane interface. As G protein-coupled receptors, ion channels, transporters, and membrane-bound enzymes are important drug targets, understanding their drug bi...

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Bibliographic Details
Published in:Journal of chemical theory and computation 2023-04, Vol.19 (8), p.2161-2185
Main Authors: Feng, Shasha, Park, Soohyung, Choi, Yeol Kyo, Im, Wonpil
Format: Article
Language:English
Subjects:
Binding
Biophysics
Ion channels
Lipids
Lipids - chemistry
Materials science
Membrane Proteins
Membranes
Microscopes
Molecular dynamics
Molecular Dynamics Simulation
Physical chemistry
Proteins
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