Duties Responsibilities Set up and perform simulations and analyses. Set up and perform molecular dynamics simulations of membrane transporters and other membrane associated systems alongside the collaborating experimental labs. Simulate and analyze membrane proteins involved in transport of neurotransmitters in the brain. Perform docking studies of small molecules in search of effective inhibitors for the protein that can be tested experimentally. Assist the group systems administration team in handling computers with a variety of architectures and operating systems. Install new machines in the physical space and add them to queues. Upgrade software and debug computer issues. Coordinate training and outreach activities. Attend and coordinate activities such as the Beckman Open House, staff the hands-on sessions in annual workshops and provide 3D demos to visitors. Use the results of the simulations to prepare manuscripts for submission to scientific journals.