Modeling membrane geometries implicitly in Rosetta
Interactions between membrane proteins (MPs) and lipid bilayers are critical for many
cellular functions. In the Rosetta molecular modeling suite, the implicit membrane energy …
cellular functions. In the Rosetta molecular modeling suite, the implicit membrane energy …
Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks
J Koehler Leman, S Lyskov, SM Lewis… - Nature …, 2021 - nature.com
Each year vast international resources are wasted on irreproducible research. The scientific
community has been slow to adopt standard software engineering practices, despite the …
community has been slow to adopt standard software engineering practices, despite the …
Implicit model to capture electrostatic features of membrane environment
Membrane protein structure prediction and design are challenging due to the complexity of
capturing the interactions in the lipid layer, such as those arising from electrostatics …
capturing the interactions in the lipid layer, such as those arising from electrostatics …