An Array Processor for Studies in Biomolecular Structure

Kollman, Peter A.

Abstract

The Structural Biology group at UCSF proposes to purchase a high performance Array processor. This array processor will allow the extensive development of computer software in the areas of quantum mechanics/molecular mechanics, molecular dynamics, crystallographic refinement, real-time energy minimization and three dimensional image analysis. This Array processor is also important to proposed studies in protein design and enzyme catalysis, membrane structure and function, DNA-drug interactions and structure of cell nuclei or individual chromosomes.

Funding Agency

• Agency: National Institute of Health (NIH)
• Institute: National Center for Research Resources (NCRR)
• Type: Biomedical Research Support Shared Instrumentation Grants (S10)
• Project #: 1S10RR002441-01
• Application #: 3519227
• Study Section: (SSS)
• Project Start: 1985-02-01
• Project End: 1986-01-31
• Budget Start: 1985-02-01
• Budget End: 1986-01-31
• Support Year: 1
• Fiscal Year: 1985

Institution

• Name: University of California San Francisco
• Type: Schools of Pharmacy
• DUNS #: 073133571
• City: San Francisco
• State: CA
• Country: United States
• Zip Code: 94143

Publications

Sullivan-Whalen, Mary; Gilleaudeau, Patricia (2007) Psoriasis: hope for the future. Nurs Clin North Am 42:467-84, vii

Cieplak, P; Rao, S N; Grootenhuis, P D et al. (1990) Free energy calculation on base specificity of drug--DNA interactions: application to daunomycin and acridine intercalation into DNA. Biopolymers 29:717-27

Balaji, V N; Mobasser, A; Rao, S N (1989) Modification of protein stability by introduction of disulfide bridges and prolines: geometric criteria for mutation sites. Biochem Biophys Res Commun 160:109-14

Cieplak, P; Rao, S N; Helene, C et al. (1987) Conformations of duplex structures formed by oligodeoxynucleotides covalently linked to the intercalator 2-methoxy-6-chloro-9-aminoacridine. J Biomol Struct Dyn 5:361-82

Brown, F K; Kollman, P A (1987) Molecular dynamics simulations of ""loop closing"" in the enzyme triose phosphate isomerase. J Mol Biol 198:533-46

Rao, S N; Kollman, P A (1987) Molecular mechanical simulations on double intercalation of 9-amino acridine into d(CGCGCGC) X d(GCGCGCG): analysis of the physical basis for the neighbor-exclusion principle. Proc Natl Acad Sci U S A 84:5735-9