WordNet

the act of imitating the behavior of some situation or some process by means of something suitably analogous (especially for the purpose of study or personnel training)
(computer science) the technique of representing the real world by a computer program; "a simulation should imitate the internal processes and not merely the results of the thing being simulated" (同)computer_simulation
relating to simple or elementary organization; "proceed by more and more detailed analysis to the molecular facts of perception"--G.A. Miller
relating to or produced by or consisting of molecules; "molecular structure"; "molecular oxygen"; "molecular weight is the sum of all the atoms in a molecule"
of or relating to dynamics
characterized by action or forcefulness or force of personality; "a dynamic market"; "a dynamic speaker"; "the dynamic president of the firm" (同)dynamical
the branch of mechanics concerned with the forces that cause motions of bodies (同)kinetics

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1. 分子遺伝学の原理 principles of molecular genetics
2. 慢性骨髄性白血病の分子遺伝学 molecular genetics of chronic myeloid leukemia
3. ビタミンＫ、γカルボキシグルタミン酸、および凝固剤と他のタンパク質の機能 vitamin k gamma carboxyglutamic acid and the function of coagulation and other proteins
4. 大腸癌の分子遺伝学 molecular genetics of colorectal cancer
5. 膵外分泌癌の分子学的病因 molecular pathogenesis of exocrine pancreatic cancer

Conformational flexibility and loss of structural rigidity for a model hexapeptide, GRGDTP: (1) H-NMR and molecular dynamics studies.

Kulkarni AK, Ojha RP.SourceDepartment of Physiology, Mediciti Institute of Medical Sciences, Hyderabad, 501401, Andhra Pradesh, India.
Biopolymers.Biopolymers.2013 Jul;99(7):460-71. doi: 10.1002/bip.22202.
The NMR and molecular dynamics methods are used to study the conformations of a hexapeptide, GRGDTP, which has been shown to be accessible to various types of cell-adhesion based cellular behaviors such as cell-to-matrix interactions, cell differentiation, immunogenicity development, gene expression
PMID 23616214

Homology modeling of dihydrofolate reductase from T. gondii bonded to antagonists: molecular docking and molecular dynamics simulations.

Pacheco Homem D, Flores R, Tosqui P, de Castro Rozada T, Abicht Basso E, Gasparotto Junior A, Augusto Vicente Seixas F.SourceState University of Maringá, Av. Colombo 5790, Maringá, PR, Brazil. favseixas@uem.br.
Molecular bioSystems.Mol Biosyst.2013 Jun 7;9(6):1308-15. doi: 10.1039/c3mb25530a. Epub 2013 Feb 28.
The aim of this work was to solve the structure of the enzyme dihydrofolate reductase from Toxoplasma gondii (TgondiiDHFR) as a target for drug discovery on account of recent reports of parasite's growing resistance to pyrimethamine (CP6), which is the reference pharmaceutical used to treat toxoplas
PMID 23450239

A multi-scale molecular dynamics study of the assembly of micron-size supraparticles from 30 nm alkyl-coated nanoparticles.

Thompson D, Sikora M, Szymczak P, Cieplak M.SourceTheory, Modelling and Design Centre, Tyndall National Institute, University College Cork, Cork, Ireland. damien.thompson@tyndall.ie.
Physical chemistry chemical physics : PCCP.Phys Chem Chem Phys.2013 Jun 7;15(21):8132-43. doi: 10.1039/c3cp50523e. Epub 2013 Apr 17.
Atomistic and meso scale computer simulations of nanoparticle aggregation are combined to describe the self-assembly of supraparticles in bulk and on surfaces under vacuum conditions. At the nano scale, atomic resolution molecular dynamics simulations provide the structures of 30 nm-diameter nanopar
PMID 23591715

矢口久雄,藤川重雄
ながれ : 日本流体力学会誌 = Nagare : journal of Japan Society of Fluid Mechanics 33(4), 367-374, 2014-08
NAID 40020210606

老川稔 ,野村昴太郎 ,泰岡顕治 ,成見哲
情報処理学会研究報告. [ハイパフォーマンスコンピューティング] 2014-HPC-145(40), 1-6, 2014-07-21
GPU はその高い並列計算性能から多くの高性能計算機で利用されている.近年では高性能計算機を構成する装置の複雑化と大規模化が進み,その平均故障時間は短くなる傾向にあることから,計算機システムの信頼性を確保するための耐故障性機能が求められている.本稿では,GPU 仮想化ソフトウェアの機能を拡張することにより,GPU を含んだ計算機環境の動作信頼性を向上させるシステムを開発した.GPU を使用した分子 …
NAID 110009808135