Insertion of the Ca²⁺-independent phospholipase A₂ into a phospholipid bilayer via coarse-grained and atomistic molecular dynamics simulations.

por Denis Bucher, Yuan-Hao Hsu, Varnavas D Mouchlis, Edward A Dennis, J Andrew McCammon
Publicado 2013

Conformational sampling and nucleotide-dependent transitions of the GroEL subunit probed by unbiased molecular dynamics simulations.

por Lars Skjaerven, Barry Grant, Arturo Muga, Knut Teigen, J Andrew McCammon, Nathalie Reuter, Aurora Martinez
Publicado 2011

A Computational Modeling Approach Predicts Interaction of the Antifungal Protein AFP from <italic toggle="yes">Aspergillus giganteus</italic> with Fungal Membranes via Its γ-Core M...

por Tillmann Utesch, Alejandra de Miguel Catalina, Caspar Schattenberg, Norman Paege, Peter Schmieder, Eberhard Krause, Yinglong Miao, J. Andrew McCammon, Vera Meyer, Sascha Jung, Maria Andrea Mroginski
Publicado 2018

Gating mechanism of elongating β-ketoacyl-ACP synthases

por Jeffrey T. Mindrebo, Ashay Patel, Woojoo E. Kim, Tony D. Davis, Aochiu Chen, Thomas G. Bartholow, James J. La Clair, J. Andrew McCammon, Joseph P. Noel, Michael D. Burkart
Publicado 2020