Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics Sixth Round (2015) / Chapter Skim
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Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics, Sixth Round
Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics, Sixth Round
Pages 1-10
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Report of the Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics, Sixth Round Committee on Proposal Evaluation for Allocation of Supercomputing Time for the Study of Molecular Dynamics, Sixth Round Board on Life Sciences Board on Chemical Sciences and Technology Division on Earth and Life Studies
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The members comprised a cross section of the biomolecular dynamics field in academia, industry, and government including both senior and junior investigators. The Anton RFP described the three criteria against which the committee was asked to evaluate proposals: Scientific Merit, including the potential to advance understanding on an important problem or question in the field; potential for breakthrough science resulting in new discoveries and understanding; the impact that successful completion of the proposed research would have on knowledge, methods, and current barriers in the field; and a scientifically and technologically feasible project with clear, well-developed, and appropriate goals, objectives, and approach to the proposed studies.
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The committee was further asked to allocate at least 25% of the time to principal investigators who had not previously received an Anton allocation. The judgments of the committee are based on which proposals best met the selection criteria described above and on the estimates of required simulation time provided by the applicants.
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PSCA15026 Polenova, University of Delaware; Dynamic Characterization of the Spacer Peptide 1 in HIV-1 Capsid Protein Assemblies [New user, identified for 100,000 node-hours] PSCA15027 Weng, Whitehead Institute for Biomedical Research; Structural basis for enzyme catalytic promiscuity in plant specialized metabolism [New user, identified for 50,000 node-hours]
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PSCA15038 Cisneros, Wayne State University; Molecular dynamics investigation of hen egg white lysozyme folding/unfolding for enabling mass spectrometry interpretation [New user, identified for 50,000 node-hours] PSCA15039 Roux, University of Chicago; Proton traffic in the sodium-potassium pump ATPase [Returning user, identified for 60,000 node-hours]
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* PSCA15071 Freites, University of California, Irvine; Molecular modeling studies of eye lens proteins at physiological concentrations [Returning user, identified for 50,000 node-hours]
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The time allocations for the 48 proposals identified by the committee as best meeting the selection criteria for time allocations total approximately 3,357,000 node-hours. Of the 48 proposals identified, 24 were identified at the approximately 100,000 node-hour level and 24 at the 50,000 node-hour level or below.1 A total of approximately 824,000 node-hours were allocated to proposals whose principal investigator did not receive time on Anton during the past five years (identified as "new users")
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Roster and Biographical Sketches of Committee Members E The Board on Life Sciences, the Board on Chemical Sciences and Technology, and the Academies F
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