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Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics Seventh Round (2016) / Chapter Skim
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Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics, Seventh Round
Pages 1-8

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From page 1...
... available to the non-commercial research community. As in prior rounds, the goal of the seventh RFP for simulation time on Anton 2 is to continue to facilitate breakthrough research in the study of biomolecular systems by providing a massively parallel system specially designed for molecular dynamics simulations.
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From page 2...
... • Investigator Qualifications and Past Accomplishments, including the appropriate experience and training to successfully conduct the proposed studies, evidence of knowledge and prior experience in molecular simulations, and past publications. Proposals from investigators who had previously received an allocation of time on Anton were required to include progress reports, which the committee drew on as supplemental material in its consideration of proposals.
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From page 3...
... . In numerical order by proposal submission number, the proposals judged by the committee as best meeting the selection criteria of the RFP are: PSCA16005P Bykhovskaia, Wayne State University; Protein Machinery Regulating Synaptic Vesicle Fusion [Returning user, identified for 230,000 MDUs]
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From page 4...
... PSCA16035P McCammon, University of California San Diego; Investigatingthe mechanism of conformational activation of the CRISPR-Cas9 system via long-time scale molecular dynamics [Returning user, identified for 225,000 MDUs]
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From page 5...
... PSCA16067P Onuchic, Center for Theoretical Biological Physics, Rice University; Quantitative study of Influenza Hemagglutinin in a Membrane-bound Environment [Returning user, identified for 416,022 MDUs] PSCA16069P Schulten, University of Illinois at Urbana Champaign; A Computational Study on Dynamic Instability of Microtubules [Returning user, identified for 460,000 MDUs]
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From page 6...
... PSCA16101P Gruebele, University of Illinois at Urbana Champaign; Testing the Mechanistic Convergence of Protein Folding Experiments and Simulations [Returning user, identified for 460,000 MDUs] PSCA16105P Lau, Johns Hopkins University School of Medicine; Glutamate Receptor Activation [Returning user, identified for 460,000 MDUs]
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From page 7...
... E Shaw Research, the Pittsburgh Supercomputing Center, and all of the 2016 Anton 2 applicants for the opportunity to assist in identifying the proposals best meeting the selection criteria for time allocations on the Anton machine.
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From page 8...
... Individual Proposal Summary Evaluations C Proposal Evaluation Criteria D
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Key Terms

  • selection criteria
  • simulation time
  • time allocations
  • supercomputing center
  • time allocation

  • pittsburgh supercomputing
  • dynamics simulations
  • molecular mechanisms
  • dynamics simulation
  • biomolecular simulation

  • simulation timescales
  • shaw research
  • previously received
  • past five
  • scale molecular

  • molecular modeling
  • supercomputing time
  • molecular dynamic
  • molecular chaperone
  • received time

  • molecular biophysics
  • modified time
  • time requested
  • time available
  • lesser time

  • required simulation
  • available simulation
  • conformational dynamics
  • biomolecular dynamics
  • protein binding


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