Projects: Biological Sciences

ALCF projects cover many scientific disciplines, ranging from biology and physics to materials science and energy technologies. Filter ongoing and past projects by allocation program, scientific domain, and year.

Award INCITE
Domain Biological Sciences
Hours 1.5 Million Core-Hours

Breaking New Ground in Membrane Protein Research

PI Benoit Roux , Argonne National Laboratory and The University of Chicago
Atomic model for the simulation of the KvAP channel in a lipid membrane.

Award INCITE
Domain Biological Sciences
Hours 846,720 Core-Hours

Preventing Cardiac Rhythm Disorders

PI Jeff Fox, Gene Network Sciences
Simulation of ventricular fibrillation, a dangerous cardiac rhythm disorder, in a 3-D model of the canine ventricular anatomy.

Award INCITE
Domain Biological Sciences
Hours 20,000,000 Core-Hours

Protein-Ligand Interaction Simulations and Analysis

PI T. Andrew Binkowski, Argonne National Laboratory
Interaction Simulations and Analysis

Award INCITE
Domain Biological Sciences
Hours 50,000,000 Core-Hours

Multiscale Blood Flow Simulations

PI George Karniadakis, Brown University

Award INCITE
Domain Biological Sciences
Hours 10,000,000 Core-Hours

Protein-Ligand Interaction Simulations and Analysis

PI T. Andrew Binkowski, Argonne National Laboratory

Award INCITE
Domain Biological Sciences
Hours 50,000,000 Core-Hours

Multiscale Blood Flow Simulations

PI George Karniadakis, Brown University

Award Mira ESP
Domain Biological Sciences
Hours 80 Million Core-Hours

NAMD - The Engine for Large-Scale Classical MD Simulations of Biomolecular Systems Based on a Polarizable Force Field

PI Benoit Roux, Argonne National Laboratory & University of Chicago
NAMD

Award INCITE
Domain Biological Sciences
Hours 50 Million Core-Hours

Towards Breakthroughs in Protein Structure Calculation and Design

PI David Baker, University of Washington
Large protein ALG13

Award INCITE
Domain Biological Sciences

Simulation and modeling of membranes interactions with unstructured proteins and computational design of membrane channels for absorption of specified ions

PI Igor Tsigelny, University of California - San Diego
One of the selected MD conformers of MccE492 microcin

Award Mira ESP
Domain Biological Sciences
Hours 150 Million Core-Hours

Multiscale Molecular Simulations at the Petascale

PI Gregory Voth, U. Chicago
rigid sphere