Abstract

The long-term objective of this project is to provide high-performance crystallographic fast Fourier transform for inclusion in software packages devoted to the visualization of virus or protein structures at atomic resolution. Specifically, the power of new mathematical formulation for crystal symmetric Fourier transformation will be explored as main design tool. The intended result is a highly-efficient mathematical software package for computing three-dimensional crystallographic Fourier transforms on 3D data-samples whose edge-size is a power of a prime (in particular, a power of two) or, product of primes (mixed radix). The routines in this package will avoid computing with redundant data and operations induced by the symmetries of the crystal, and will be applicable to all crystal symmetries. The actual accuracy, applicability, and efficiency of the new methods will be achieved through cycles of computer experimentation and mathematical/algorithmic modifications. Several test problems will be selected, and software prototypes will be tested on different computer platforms.

  Funding Agency

Agency
National Institute of Health (NIH)
Institute
National Institute of General Medical Sciences (NIGMS)
Type
Minority Biomedical Research Support - MBRS (S06)
Project #
5S06GM008103-27
Application #
6311587
Study Section
Project Start
2000-05-01
Project End
2001-04-30
Budget Start
1998-10-01
Budget End
1999-09-30
Support Year
27
Fiscal Year
2000
Total Cost
$113,228
Indirect Cost

  Institution

Name
University of Puerto Rico Mayaguez
Department
Type
DUNS #
City
Mayaguez
State
PR
Country
United States
Zip Code
00681

  Publications

Díaz Casas, Adalberto; Chazin, Walter J; Pastrana-Ríos, Belinda (2017) Prp40 Homolog A Is a Novel Centrin Target. Biophys J 112:2529-2539
Lara Rodriguez, L; Sundaram, P A (2016) Corrosion behavior of plasma electrolytically oxidized gamma titanium aluminide alloy in simulated body fluid. Mater Chem Phys 181:67-77
Bueno-Vera, J A; Torres-Zapata, I; Sundaram, P A et al. (2015) Electrochemical characterization of MC3T3-E1 cells cultured on ?TiAl and Ti-6Al-4V alloys. Bioelectrochemistry 106:316-27
Pastrana-Rios, Belinda; Del Valle Sosa, Liliana; Santiago, Jorge (2015) Trifluoroacetic acid as excipient destabilizes melittin causing the selective aggregation of melittin within the centrin-melittin-trifluoroacetic acid complex. Struct Dyn 2:041711
Santiago-Medina, P; Sundaram, P A; Diffoot-Carlo, N (2015) Titanium Oxide: A Bioactive Factor in Osteoblast Differentiation. Int J Dent 2015:357653
Lara Rodriguez, L; Sundaram, P A; Rosim-Fachini, E et al. (2014) Plasma electrolytic oxidation coatings on ?TiAl alloy for potential biomedical applications. J Biomed Mater Res B Appl Biomater 102:988-1001
Santiago-Medina, Pricilla; Sundaram, Paul A; Diffoot-Carlo, Nanette (2014) The effects of micro arc oxidation of gamma titanium aluminide surfaces on osteoblast adhesion and differentiation. J Mater Sci Mater Med 25:1577-87
Vera, José L; Rullán, Jorge; Santos, Natasha et al. (2014) Functionalized ferrocenes: The role of the para substituent on the phenoxy pendant group. J Organomet Chem 749:204-214
Dominguez-Garcia, Moralba; Ortega-Zuniga, Carlos; Melendez, Enrique (2013) New tungstenocenes containing 3-hydroxy-4-pyrone ligands: antiproliferative activity on HT-29 and MCF-7 cell lines and binding to human serum albumin studied by fluorescence spectroscopy and molecular modeling methods. J Biol Inorg Chem 18:195-209
Pastrana-Rios, Belinda; Reyes, Myrna; De Orbeta, Jessica et al. (2013) Relative stability of human centrins and its relationship to calcium binding. Biochemistry 52:1236-48

Showing the most recent 10 out of 53 publications