نتایج جستجو برای: محاسبات qm

تعداد نتایج: 14888  

Journal: :Genetics 1998
C Lai R McMahon C Young T F Mackay C H Langley

The quemao (qm) locus of Drosophila melanogaster is characterized by a P-element-associated mutant lacking most of the large bristles on the thorax and by several EMS-induced recessive lethals. quemao was cloned using a transposon tagging strategy. P-element-mediated transformation demonstrated that the cloned qm DNA sequence (from the 65F cytological region) rescues the mutant phenotype. A 2.3...

2015
Tomáš Kubař

The approximative density-functional method DFTB3 has been implemented in the Gromacs package version 5, complementing the existing QM/MM interface. The tight integration within the program gives rise to favorable efficiency, and makes it possible to employ a full PME-based treatment of QM/MM electrostatic interaction. Therefore, unnecessary artifacts are avoided in simulations involving polar ...

2014
Cordula Wagner Oliver Groene Caroline A. Thompson Maral Dersarkissian Niek S. Klazinga Onyebuchi A. Arah Rosa Suñol N Klazinga DS Kringos K Lombarts T Plochg MA Lopez M Secanell R Sunol P Vallejo P Bartels S Kristensen P Michel F Saillour-Glenisson F Vlcek M Car S Jones E Klaus P Garel K Hanslik M Saluvan C Bruneau A Depaigne-Loth C Shaw A Hammer O Ommen H Pfaff O Groene D Botje C Wagner H Kutaj-Wasikowska B Kutryba A Escoval M Franca F Almeman H Kus K Ozturk R Mannion OA Arah A Chow M DerSarkissian C Thompson A Wang A Thompson

OBJECTIVE The assessment of integral quality management (QM) in a hospital requires measurement and monitoring from different perspectives and at various levels of care delivery. Within the DUQuE project (Deepening our Understanding of Quality improvement in Europe), seven measures for QM were developed. This study investigates the relationships between the various quality measures. DESIGN It...

Journal: :Journal of chemical theory and computation 2014
Jesús I Mendieta-Moreno Ross C Walker James P Lewis Paulino Gómez-Puertas Jesús Mendieta José Ortega

In recent years, quantum mechanics/molecular mechanics (QM/MM) methods have become an important computational tool for the study of chemical reactions and other processes in biomolecular systems. In the QM/MM technique, the active region is described by means of QM calculations, while the remainder of the system is described using a MM approach. Because of the complexity of biomolecules and the...

2006
Zhenyu Yang Ya-Pu Zhao

The hybrid quantum mechanics (QM) and molecular mechanics (MM) method is employed to simulate the His-tagged peptide adsorption to ionized region of nickel surface. Based on the previous experiments, the peptide interaction with one Ni ion is considered. In the QM/MM calculation, the imidazoles on the side chain of the peptide and the metal ion with several neighboring water molecules are treat...

2005
Carlos Castro

We explore Yang’s Noncommutative space-time algebra (involving two length scales) within the context of QM defined in Noncommutative spacetimes; the Holographic principle and the area-coordinates algebra in Clifford spaces. Casimir invariant wave equations corresponding to Noncommutative coordinates and momenta in d-dimensions can be recast in terms of ordinary QM wave equations in d + 2-dimens...

Journal: :Journal of bacteriology 1972
J C Vary

Auxotrophic or antibiotic-resistant mutants of Bacillus megaterium QM B1551 are capable of initiation of germination similar to the parental (QM B1551) prototrophic strain.

Journal: :Methods in enzymology 2016
M Askerka J Ho E R Batista J A Gascón V S Batista

Quantum mechanics/molecular mechanics (QM/MM) hybrid methods are currently the most powerful computational tools for studies of structure/function relations and catalytic sites embedded in macrobiomolecules (eg, proteins and nucleic acids). QM/MM methodologies are highly efficient since they implement quantum chemistry methods for modeling only the portion of the system involving bond-breaking/...

2010
Karijn P. M. Suijkerbuijk Xiaojuan Pan Elsken van der Wall Paul J. van Diest Marc Vooijs

BACKGROUND Promoter hypermethylation has emerged as a promising cancer biomarker. Currently, a large variety of quantitative and non-quantitative techniques is used to measure methylation in clinical specimens. Here we directly compared three commonly used methylation assays and assessed the influence of tissue fixation, target sequence location and the amount of DNA on their performance. MET...

Journal: :The Journal of Experimental Medicine 1999
Constantino López-Macías Ulrich Kalinke Marilia Cascalho Matthias Wabl Hans Hengartner Rolf M. Zinkernagel Alain Lamarre

Variable (V) region gene replacement was recently implicated in B cell repertoire diversification, but the contribution of this mechanism to antibody responses is still unknown. To investigate the role of V gene replacements in the generation of antigen-specific antibodies, we analyzed antiviral immunoglobulin responses of "quasimonoclonal" (QM) mice. The B cells of QM mice are genetically comm...

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