Using local states to drive the sampling of global conformations in proteins

Conformational changes associated with protein function often occur beyond the time scale currently accessible to unbiased molecular dynamics (MD) simulations, so that different approaches have been developed to accelerate their sampling. Here we investigate how the knowledge of backbone conformations preferentially adopted by protein fragments, as contained in precalculated libraries known as structural alphabets (SA), can be used to explore the landscape of protein conformations in MD simulations. We find that (a) enhancing the sampling of native local states in both metadynamics and steered MD simulations allows the recovery of global folded states in small proteins; (b) folded states can still be recovered when the amount of information on the native local states is reduced by using a low-resolution version of the SA, where states are clustered into macrostates; and (c) sequences of SA states derived from collections of structural motifs can be used to sample alternative conformations of preselected protein regions. The present findings have potential impact on several applications, ranging from protein model refinement to protein folding and design.The computer resources, technical expertise, Red Española de Supercomputación, Cristian Micheletti, Michael Sadowski and Katarzyna Maksimia

Exploiting the WH/ZH symmetry in the search for New Physics

We suggest to isolate the loop-induced gluon-initiated component ($gg\to ZH$) for associated $ZH$ production by using the similarity of the Drell-Yan-like component for $ZH$ production to the $WH$ process. We argue that the cross-section ratio of the latter two processes can be predicted with high theoretical accuracy. Comparing it to the experimental $ZH/WH$ cross-section ratio should allow to probe for New Physics in the $gg\to ZH$ component at the HL-LHC. We consider typical BSM scenarios in order to exemplify the effect they would have on the proposed observable.Comment: 22 pages, 10 figures. v2: Minor changes; matches published versio

KEPEMIMPINAN JAWA TOKOH UTAMA DALAM NOVEL KEN AROK KEN DEDES: SEBUAH ROMAN EPIK CINTA PENUH DARAH KARYA WAWAN SUSETYA DAN TOKOH UTAMA DALAM LEGENDA “GUNUNG KEMUKUS DI SRAGEN”: KAJIAN SASTRA BANDINGAN DAN IMPLEMENTASINYA SEBAGAI BAHAN AJAR SASTRA DI SMK BINA TARUNA MASARAN

ABSTRACT Intan Pandini Widyastuti/A310120261. MAIN CHARACTER’S JAVANSSE LEADERSHIP IN KEN AROK KEN DEDES: SEBUAH ROMAN EPIK CINTA PENUH DARAHNOVEL BY WAWAN SUSETYA ANF MAIN CHARACTER IN “GUNUNG KEMUKUS IN SRAGEN” MYTH: LITERATURE EQUIVALENT REVIEW AND THE IMPLEMENTATION AS LITERATURE LEARNING MATERIAL IN SMK BINA TARUNA MASARAN. Skripsi. Indonesia Language Education, Teacher Training and Education, Muhammadiyah University of Surakarta. October, 2016. This research aims to (1) describe the structur which builds Ken Arok Ken Dedes: Sebuah Roman Epik Cinta Penuh Darahnovel by Wawan Susetya and “Gunung Kemukus” in Sragen myth”, (2) review the similariry and the differences of ken arok’s javanesse leadership in Ken Arok Ken Dedes: Sebuah Roman Epik Cinta Penuh Darahnovel by Wawan Susetya with Prince Samoedra in “Gunung Kemukus” in Sragen myth”, (3) analyze the research outcome implementation of Ken Arok Ken Dedes: Sebuah Roman Epik Cinta Penuh Darah novel by Wawan Susetya with Prince Samoedra in “Gunung Kemukus” in Sragen myth” as litarature learning material in SMK Bina Taruna. This research use descriptive qualitatif method. The data collecting technique in this research are documentation, observation, and interview.the data velidity use triangulation of the data. Data analysis technique use equivalent litarature analysis. Based on the research, it can be conclude that (1) the stucture which build Ken Arok Ken Dedes: Sebuah Roman Epik Cinta Penuh Darahnovel and myth of “Gunung Kemukus” are theme, character, plot, bacground. (2) the similarity and the differences of javanesse leadership in Ken Arok Ken Dedes: Sebuah Roman Epik Cinta Penuh Darahnovel and the myth of “Gunung Kemukus” is the characteristic of the leadership they are monocentrum, metafysis and sincretis, on the leadership value i.e. jujur, wani dan temen. (3) the result of this research can be implemnted on literature learning in XI grades of senior high school based on KD 7.2 to analyze instrinsic and extrinsic unures of Indonesian novel/translated novel. Beside that, in literature learning in X grades of senior high school based on KD 13.1 to find an interesting things about the characters directly or through recording. Keyword : equivalent literature, javanesse leadership, Ken Arok Ken Dedesnovel, Gunung Kemuku

HUBUNGAN ANTARA VALS (VALUE AND LIFESTYLE) DENGAN STYLE FASHION MUSLIM KONTEMPORER TIPE CLASSIC ELEGANT PADA KONSUMEN MEREK X

Penelitian ini didasari oleh berkembang pesatnya industri fashion muslim di Indonesia yang juga diiringi dengan meningkatnya persaingan antara para pelaku industri fashion muslim tersebut. Tujuan yang ingin dicapai dalam penelitian ini adalah untuk mengetahui seberapa besar hubungan antara VALS (value and lifestyle) dengan style fashion muslim kontemporer tipe classic elegant pada konsumen merek X. Penelitian ini menggunakan pendekatan kuantitatif dengan metode korelasional. Pengambilan sampel dalam penelitian ini menggunakan teknik simple random sampling. Subjek pada penelitian ini adalah 147 konsumen merek X. Instrumen yang digunakan yaitu instrumen VALS dan style fashion muslim kontemporer tipe classic elegant. Instrumen VALS diadaptasi dari The US VALSTM Survey milik Strategic Business Insights (SBI), sedangkan instrumen style fashion muslim kontemporer tipe classic elegant disusun sendiri oleh peneliti. Analisis data dilakukan dengan menggunakan korelasi Rank Spearman. Hasil penelitian menunjukkan (1) tipe VALS pada konsumen merek X didominasi oleh tipe believers (2) tidak terdapat hubungan yang signifikan antara tipe VALS thinkers, experiencers, achievers, believers, makers, strivers, survivors, dan innovators dengan tipe style fashion muslim kontemporer tipe classic elegant pada konsumen merek X.---------This research is based on the rapid growth of moeslim’s industrial fashion in Indonesia which is also accompanied by the increase of competition between the moeslim’s fashion industries themselves. The purpose in this research is to perceive how many the relation between VALS (value and lifestyle) with moeslim’s contemporary fashion style on brand X consumers. This research uses quantitative approach with correlation method. The sampling in this research uses simple random sampling technique. The subjects in this research are 147 brand X consumers. The instruments that are used are VALS instruments and contemporary moeslim’s fashion style classic elegant type. VALS instruments are adapted from The US VALSTM Survey by Strategic Business Insights (SBI), while the instruments of moeslim’s contemporary fashion style classic elegant type’s instruments are composed by the researcher. The data analysis is done by Rank Spearman’s correlation. The result of this research shows that (1) VALS types on brand X consumers is dominated by believer types (2) there are no significant relationship between VALS thinkers, experiencers, achievers, believers, makers, strivers, survivors, and innovators with moeslim’s contemporary fashion style classic elegant types on brand X consumers

Conformational and functional analysis of molecular dynamics trajectories by Self-Organising Maps

Molecular dynamics (MD) simulations are powerful tools to investigate the conformational dynamics of proteins that is often a critical element of their function. Identification of functionally relevant conformations is generally done clustering the large ensemble of structures that are generated. Recently, Self-Organising Maps (SOMs) were reported performing more accurately and providing more consistent results than traditional clustering algorithms in various data mining problems. We present a novel strategy to analyse and compare conformational ensembles of protein domains using a two-level approach that combines SOMs and hierarchical clustering

Daya Layan Halte Batik Solo Trans di Kota Surakarta, Kabupaten Boyolali, Kabupaten Karanganyar dan Kabupaten Sukoharjo

Bus rapid transit yang ada di Kota Surakarta serta meliputi kabupaten di sekitarnya merupakan sistem transportasi bus cepat, pelayanan baik dan nyaman. Tujuan yang hendak dicapai penelitian ini adalah (1) mendeskripsikan lokasi eksisting halte Batik Solo Trans dan (2) mendeskripsikan area cakupan halte Batik Solo Trans dari calon penumpang. Metode penelitian yang digunakan adalah metode survei dengan menggunakan kuesioner. Pemilihan responden yang diambil berdasarkan halte yang mana telah dilakukan dengan purposive sampling dan kemudian jumlah responden di masing-masing halte ditetapkan menggunakan quota sampling.Halte Batik Solo Trans berjumlah 72 halte dengan berbagai bentuk yaitu 34 halte banguna tertutup, 10 halte bangunan terbuka, 28 halte portabel. Persebaran pengguna bus Batik Solo Trans sebagian besar berada diluar area wellingness to walk yaitu di bawah 50%. Halte yang berada di jalur bus AKAP memiliki fungsi lain dimana menjadi pusat pemberhentian penumpang dari luar kota untuk menuju Kota Surakarta

Índice de basilea en Brasil : bancos públicos x privados

O artigo tem como objetivo verificar se o Índice de Basiléia dos bancos públicos e privados nacionais se comporta de modo diferente em função de o controle acionário dos bancos ser privado ou estatal. No intuito de elucidar essa questão, o trabalho utiliza como metodologia o teste estatístico não-paramétrico de Mann-Whitney. Por meio desse teste verificou-se se o Índice de Basiléia correspondente ao tipo de controle acionário dos bancos (público ou privado) seria um fator de diferenciação, isto é, se existe diferença significativa entre o valor médio do índice dos bancos públicos e dos privados no período compreendido entre os anos 2001 e 2006. Os resultados empíricos revelaram que não é possível rejeitar a hipótese de que o Índice de Basiléia médio de bancos públicos é equivalente àquele dos bancos privados. _________________________________________________________________________________ ABSTRACTThis paper aims at verifying whether the Basel Index of national public and private banks behaves differently according to their shareholder control being private or state-owned. With the purpose of clarifying this question, our methodology utilizes the non-parametric statistical test of Mann-Whitney. By means of this method, we tested whether the Basel Index corresponding to the banks’ shareholder control (public vs. private) would be a discrimination factor, i.e. if there exists a significant difference between the mean value of the Basel Index of public vis-à-vis private banks within the period from 2001 and 2006. The empirical results show that it is not possible to reject the hypothesis that the average Basel Index of public banks is equivalent to that of private banks. _________________________________________________________________________________ RESUMENEl artículo tiene como objetivo verificar si el Índice de Basilea de los bancos públicos y privados nacionales se comprta de modo diferente en función del control accionario de los bancos ser privado o estatal. En el designio de dilucidar esa cuestión, el trabajo utiliza como metodología la prueba estadística en el paramétrico de Mann-Whitney. Por medio de esa prueba se verificó si el Índice de Basilea correspondiente al tipo de control accionario de los bancos (públicos o privados) sería un factor de diferenciación, esto es, si existe diferencia significativa entre el valor medio del índice de los bancos públicos y de los privados en el período comprendido entre los años 2001 y 2006. Los resultados empíricos revelaron que no es posible rechazar la hipótesis de que el Índice de Basilea medio de bancos públicos es equivalente a aquél de los bancos privados

Thermomechanical properties and shape-memory behavior of bisphenol a diacrylate-based shape-memory polymers

A series of acrylate-based shape-memory materials are synthesized from bisphenol A diacrylate monomers as crosslinking agents. Networks are synthesized by keeping constant the content of bisphenol A-based crosslinking agent and systematically varying the content ratio of different monofunctional chain builder monomers. The implications of the structure of bisphenol A-based monomers and the chemical structure and content of monofunctional monomers on thermomechanical properties are discussed. Thermomechanical properties are analyzed using dynamic mechanical analyses and mechanical properties are studied at room temperature and at the onset of the glass transition temperature. Shape-memory performances under isothermal and transient temperature conditions are also carried out. Tensile tests show excellent values of stress at break up to 45 and 15 MPa at room and high temperature, respectively. The measurements show excellent shape recovery and shape fixity ratios, ˜95% and 97%, respectively. These materials also show very high recovery velocities under transient temperature conditions, up to 24% min-1, and very short recovery times, up to 1.5 s, under isothermal conditions in a water bath. The results confirm that networks synthesized from bisphenol A crosslinkers are promising shape-memory materials.Postprint (author's final draft

A PRÁTICA PEDAGÓGICA MEDIADA PELAS TECNOLOGIAS NO CURSO DE PEDAGOGIA A DISTÂNCIA: UMA PROPOSTA DE DEMOCRATIZAÇÃO DO FAZER PEDAGÓGICO

Ao apresentar a abordagem integradora e interdisciplinar da prática pedagógica do Curso de Pedagogia a Distância da UDESC, busca-se dar visibilidade à sua contribuição ao processo de democratização do fazer pedagógico, atendendo parte do compromisso social que a universidade tem para com a sociedade. A reflexão deste estudo centra-se na disciplina de Estágio Curricular Supervisionado de Ensino do Centro de Educação a Distância, que hoje possui o apoio da Universidade Aberta do Brasil, Programa do Ministério da Educação e Cultura e da CAPES (UAB/MEC). Mediada pelas tecnologias digitais e concepção históricocultural, os procedimentos operacionais do Estágio curricular e da Prática como Componente Curricular interagem com disciplinas de conteúdos e metodologias, buscando democratizar o aprendizado e construindo uma prática pedagógica reflexiva, articulando teoria a prática. Esta proposta tem contribuído para a formação de professores na perspectiva inclusiva, democrática e emancipatória de formação e profissionalização do docente. Nesse contexto, é apresentada a experiência vivenciada por um aluno cego, que desenvolveu o estágio curricular em um espaço educativo hospitalar. A cegueira física não foi impedimento para construir seus saberes pedagógicos no processo de profissionalização e identidade docente