A computationally efficient method is presented - 'fast rotational matching' or FRM - that significantly accelerates the search of the three rotational degrees of freedom (DOF) in biomolecular matching problems. This method uses a suitable parametrization of the three-dimensional rotation group along with spherical harmonics, which allows efficient computation of the Fourier Transform of the rotational correlation function. Previous methods have used Fourier techniques only for two of the rotational DOFs, leaving the remaining angle to be determined by an exhaustive search. Here for the first time a formulation is presented that makes it possible to Fourier transform all three rotational DOFs, resulting in notable improvements in speed. Applications to the docking of atomic structures into electron-microscopy maps and the molecular-replacement problem in X-ray crystallography are considered.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1107/s0907444902009794 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Using three-zone flexible cones at the metaphyseal-diaphyseal junction may avoid the need for distal femoral replacement: The floating cone technique.
Knee
December 2024
Orthopedic Surgery and Traumatology, Hospital Clínic de Barcelona, Barcelona, Spain.
Distal femoral replacement (DFR) with megaprostheses is a salvage revision total knee arthroplasty (rTKA) procedure indicated in cases with massive bone defects in the distal femur. As long as these implants achieve fixation only in the diaphysis, the high aseptic loosening rate reported in some series is probably related to a lack of rotational stability. Two patients with extensive distal femoral bone defects with preservation of the metaphyseal-diaphyseal junction underwent rTKA.
View Article and Find Full Text PDFIntegrating High-Value Cost-Conscious Care into an Existing Medical School Curriculum.
MedEdPORTAL
January 2025
Associate Professor, Internal Medicine, Oregon Health & Science University School of Medicine; Portland Veterans Administration Hospital.
Introduction: High-value cost-conscious care (HVCCC) education has been shown to reduce wasteful health care spending. Incorporating HVCCC into a medical school curriculum can be challenging due to limited curricular time. We explored the feasibility of medical students creating HVCCC peer education within existing platforms at a single urban academic medical school.
View Article and Find Full Text PDFIn this paper, an optically transparent dual-band microwave chiral metamaterial based on indium tin oxide (ITO) strips is proposed. The rotation angle and length of the three ITO strips on the structural layer can be varied to generate two independent frequency bands in the circular dichroism (CD) spectrum. The maximum CD value is 0.
View Article and Find Full Text PDFThe Impact of Changing Physicians on Compliance with Management of Myopia Progression.
Klin Monbl Augenheilkd
January 2025
Medical Faculty, University of Basel, Switzerland.
Background: The global incidence of high myopia is increasing, with projections indicating a rise from 3 to 10% of the global population by 2050. Effective treatment options exist to reduce myopia progression, but their success is contingent on patient adherence. This study assesses the impact of changes in treating physicians on adherence to therapy to control myopia progression.
View Article and Find Full Text PDFProtected palmitic acid to mitigate milk fat depression in grazing Holstein cows in the Mexican Highlands.
Arch Anim Nutr
January 2025
Posgrado en Producción Animal. Departamento de Zootecnia, Universidad Autónoma Chapingo, Texcoco, México.
The and isomers of conjugated linoleic acid (CLA) are associated with anticancer and lipolytic effects in tissues, respectively, but in lactating cows, the latter isomer reduces the milk fat concentration, a detrimental aspect for the dairy industry, as it reduces the yield of milk derivatives. Therefore, the objective of this study was to evaluate the effect of providing protected palmitic acid (PA) to grazing lactating Holstein cows supplemented with soybean oil as a source of conjugated linoleic acid, on milk production, fat concentration and mitigation of milk fat depression. Nine multiparous Holstein cows were used, distributed in three groups of three cows each, with initial means of days in milk, live weight, milk production, and number of calvings: 124 ± 16 days, 494 ± 53 kg, 20.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!