Evaluation of chemical cross-linkers for in-depth structural analysis of G protein-coupled receptors through cross-linking mass spectrometry

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

Romelia Salomón–Ferrer, Andreas W. Götz, Duncan Poole et al. · Journal of Chemical Theory and Computation · 2013 · 3.6K citations

Natural Sciences, Chemistry, Physics +16

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born

Andreas W. Götz, Mark J. Williamson, Dong Xu et al. · Journal of Chemical Theory and Computation · 2012 · 2.1K citations · Full text

Natural Sciences, Chemistry, Physics +16

Lipid14: The Amber Lipid Force Field

Callum J. Dickson, Benjamin D. Madej, Åge A. Skjevik et al. · Journal of Chemical Theory and Computation · 2014 · 1.3K citations · Full text

Natural Sciences, Biochemistry, Biophysics +17

SPFP: Speed without compromise—A mixed precision model for GPU accelerated molecular dynamics simulations

Scott Le Grand, Andreas W. Götz, Ross C. Walker · Computer Physics Communications · 2012 · 1.1K citations

Natural Sciences, High-performance Computing, Physics +11

Structural Basis for Allosteric Regulation of GPCRs by Sodium Ions

Wei Liu, Eugene Chun, Aaron A. Thompson et al. · Science · 2012 · 965 citations · Full text

Life Sciences, Biochemistry, Pharmacology +17