Name: Austen Bernardi
Type: User
Company: Lawrence Livermore National Laboratory, @LLNL
Bio: Computational chemist that specializes in molecular dynamics software and analysis. Postdoctoral researcher at Lawrence Livermore National Laboratory, @LLNL.
Location: Livermore, CA
Austen Bernardi's Projects
Contains executables, modules, examples, and documentation for steady-state kinetic modeling of ClC-ec1, a secondary active chloride/proton antiporter.
Cyclic Flow Decomposition Module
Takes an N-glycosylated glycoprotein in Gromacs generated with the Glycam forcefield and systematically generates a feasible configuration of N-glycans via rigid rotation about three bonds per N-glycan.
Python script to merge an MCPB leap input script, an associated MCPB pdb file, and a Glycam pdb file.