Molecular docking-aided identification of small molecule inhibitors targeting β-catenin-TCF4 interaction by Low, Joo-Leng, Du, Weina, Gocha, Tenzin, Oguz, Gokce, Zhang, Xiaoqian, Chen, Ming Wei, Masirevic, Srdan, Yim, Daniel Guo Rong, Tan, Iain Bee Huat, Ramasamy, Adaikalavan, Fan, Hao, DasGupta, Ramanuj

“…Specifically, we developed and optimized a computational model of β-cat using publicly available β-cat protein crystal structures, and existing β-cat-TCF4 interaction inhibitors as the training set. …”
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Power of one qumode for quantum computation by Liu, Nana, Thompson, Jayne, Weedbrook, Christian, Lloyd, Seth, Vedral, Vlatko, Gu, Mile, Modi, Kavan

“…This model is inspired by an interesting computational model known as deterministic quantum computing with one quantum bit (DQC1). …”
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Power of one qumode for quantum computation by Liu, N, Thompson, J, Weedbrook, C, Lloyd, S, Vedral, V, Gu, M, Modi, K

“…This model is inspired by an interesting computational model known as deterministic quantum computing with one quantum bit (DQC1). …”

Voltage distribution of a wind turbine transformer under direct lightning strike: effects of the grounding of cable shield by Ahmed, Rebaz Jamal, Gomes, Chandima, Kadir, Zainal, Izadi, Mehdi

“…In this paper we consider wind energy generators as tall structures, thus the reflections of the current of a direct lightning strike, at various interfaces, have been included in the computational model. A significant effect of such reflections on the voltage distribution has been observed thus, inclusion of the reflections in the computation model has been justified. …”
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China’s greenhouse gas emissions for cropping systems from 1978–2016 by Dijuan Liang, Xi Lu, Minghao Zhuang, Guang Shi, Chengyu Hu, Shuxiao Wang, Jiming Hao

“…Measurement(s) greenhouse gas Technology Type(s) digital curation • computational modeling technique Factor Type(s) date • province Sample Characteristic - Environment cultivated environment • climate change Sample Characteristic - Location China Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.14753940…”
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Assessment of benchmarks for abstract argumentation by Jean-Guy Mailly, Marco Maratea

“…We first describe the benchmark suite from previous editions of the International Competition of Computational Models of Argumentation (ICCMA), and then briefly describe the benchmarks for non-Dung frameworks. …”
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THE INFLUENCE OF DEFECTS ON THE ELECTRONIC PROPERTIES OF STRUCTURES OF LAYERED DICHALCOGENIDES OF REFRACTORY METALS by A. V. Krivosheeva, V. L. Shaposhnikov, A. Yu. Alexeev

“…Computer modeling of the electronic structure of heterostructures made of individual layers of two-dimensional crystals of MoS2, WS2, WSe2 and MoSe2 is performed by means of first-principles methods. …”
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Effect of encapsulated polymers and nanoparticles on shear deformation of droplets by Usta, O, Perchak, D, Clarke, A, Yeomans, J, Balazs, A

“…Using computational modeling, we investigate the shear response of a droplet that encases a dilute concentration of polymers and nanoparticles. …”

Integrative Biology − the challenges of developing a collaborative research environment for heart and cancer modelling by Lloyd, S, Gavaghan, D, Simpson, A, Mascord, M, Seneurine, C, Williams, G, Pitt−Francis, J, Boyd, D, Mac, R, Sastry, L, Nagella, S, Weeks, K, Fowler, R, Hanlon, D, Handley, J, de, F

“…The Integrative Biology project is building a Grid infrastructure which will enable biomedical scientists to develop accurate multi-scale computational models of the heart and of cancer tumours. …”

Large deformation of metallic hollow spheres by Speich, Marco, Rimkus, Wolfgang, Merkel, Markus, Öchsner, Andreas

“…Within the scope of this paper, the uniaxial deformation behaviour in the regime of large deformations is investigated. Appropriate computational models are developed to account for the deformation mechanisms occurring under high deformations. …”

Novel Positive Allosteric Modulators of µ Opioid Receptor—Insight from In Silico and In Vivo Studies by Damian Bartuzi, Ewa Kędzierska, Agnieszka A. Kaczor, Helmut Schmidhammer, Dariusz Matosiuk

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Time-Dependent Heat Transfer Calculations with Trefftz and Picard Methods for Flow Boiling in a Mini-Channel Heat Sink by Magdalena Piasecka, Sylwia Hożejowska, Beata Maciejewska, Anna Pawińska

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Emerging applications of microfluidization in the food industry by S. Kavinila, Shubham Nimbkar, J.A. Moses, C. Anandharamakrishnan

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A Weighted Stochastic Conjugate Direction Algorithm for Quantitative Magnetic Resonance Images—A Pattern in Ruptured Achilles Tendon T2-Mapping Assessment by Piotr A. Regulski, Jakub Zielinski, Bartosz Borucki, Krzysztof Nowinski

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Sensitivity Analysis of Risk Characteristics of Complex Engineering Systems: An Application to a Subsea Pipeline Monitoring System by Vladimir Rykov, Olga Kochueva, Mais Farkhadov, Elvira Zaripova, Anna Zhaglova

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Physical-topology modeling of silicon/gallium arsenide Schottky transistor of submicron technology LSI by S. P. Novosyadliy, V. M. Lukovkin, R. Melnyk, A. V. Pavlyshyn

“…In this paper described researched essentials and physical mechanisms of MESFET on epitaxy layers of GaAs with monocrystalline silicon wafer. Conducted computer modeling of MESFET with p-channel: distributions of potential, volumetric charge, current in channel and its characteristics. …”
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Determination of shear modulus for fiber composite using experimental-calculation methods by Tatus Nikolay

“…The possibilities of joint experiment and finite element method simulation are shown, in the case when the data obtained in the experiment are taken as initial data for the computational model. The proposed method is characterized by sufficient simplicity, the values obtained for the shear modulus show good agreement with the results of other researchers.…”
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Strength analysis of composite shear walls under explosion loadings by А Heidari, V V Galishnikova

“…The results of computer modeling of the behavior of shear walls of a building under the action of explosion loads are presented in this paper. …”
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NUMERICAL MODELING OF DYNAMICS OF THE CROSS STRESSES CHANGE ALONG THE LENGTH OF ROUND INGOT IN MNLZ-3 by A. N. Chichko, V. A. Matochkin, D. V. Kukuj, A. V. Demin, G. I. Chichko

“…The dynamics of the thermal stresses along the length of ingot of circular section with diameter 160 mm and 240 mm of low-carbon steel St20 is established by means of computer modeling.…”
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Light squeezing it two-atom Jaynes - Cummings model with intensity-dependent atom-field coupling by E.K. Bashkirov

“…The features of light squeezing for two two-level atom interacting with a coherent field in finite-Q cavity taking into account dependence of atom-field coupling from intensity of a field are explored. The computer modeling of the squeezing parameter revealed that the maximum degree of squeezing for considered model considerably surpasses corresponding quantity for one-photon case.…”
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