Results 21 to 30 of about 17,958 (193)
, 2018 The use of machine learning methods for accelerating the design of crystalline materials usually requires manually constructed feature vectors or complex transformation of atom coordinates to input the crystal structure, which either constrains the model
Grossman, Jeffrey C., Xie, Tian
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Temperature Accelerated Monte Carlo (TAMC): a method for sampling the free energy surface of non-analytical collective variables [PDF]
, 2011 We introduce a new method to simulate the physics of rare events. The method, an extension of the Temperature Accelerated Molecular Dynamics, comes in use when the collective variables introduced to characterize the rare events are either non-analytical ...
Báez +23 more
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Degree based Topological indices of Hanoi Graph [PDF]
, 2018 International audienceThere are various topological indices for example distance based topological indices and degree based topological indices etc. In QSAR/QSPR study, physiochemical properties and topological indices for example atom bond connectivity ...
Idrees, Nazeran, Khalid, Raghisa
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Topology, connectivity and electronic structure of C and B cages and the corresponding nanotubes
, 2003 After a brief discussion of the structural trends which appear with increasing number of atoms in B cages, a one-to one correspondence between the connectivity of B cages and C cage structures will be proposed.
Amovilli, C., Leys, F. E., March, N. H.
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CCDC80 suppresses high‐grade serous ovarian cancer migration via negative regulation of B7‐H3
Molecular Oncology, EarlyView.PAX8 is a lineage‐specific master regulator of transcription in high‐grade serous ovarian cancer (HGSC) progression. We show for the first time that PAX8 facilitates proliferation and metastasis by repressing the cell autonomous tumor suppressor CCDC80 and inducing B7‐H3 expression.
Aya Saleh +12 more
wiley +1 more source
Onset of rigidty in glasses: from random to self-organized networks
, 2006 We review in this paper the signatures of a new elastic phase that is found in glasses with selected compositions. It is shown that in contrast with random networks, where rigidity percolates at a single threshold, networks that are able to self-organize
Asokan +65 more
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Prediction of the Size Distributions of Methanol-Ethanol Clusters Detected in VUV Laser/Time-of-flight Mass Spectrometry [PDF]
, 2009 The size distributions and geometries of vapor clusters equilibrated with methanol−ethanol (Me−Et) liquid mixtures were recently studied by vacuum ultraviolet (VUV) laser time-of-flight (TOF) mass spectrometry and density functional theory (DFT ...
Consta, Styliani +4 more
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FEBS Open Bio, EarlyView.Pharmacological inhibition of PERK in a DEN‐induced mouse model of liver cancer does not reduce tumor burden but alters cellular stress signaling. Despite blocking PERK activity, downstream stress responses, including CHOP expression, remain active, suggesting compensatory mechanisms within the unfolded protein response that may influence tumor ...
Ada Lerma‐Clavero +5 more
wiley +1 more source
Advanced Engineering Materials, EarlyView.The thermal diffusivity of MgO‐C refractories is highly sensitive to sample preparation and processing procedures. In this article, the effects of coking sequence, machining conditions, structural inhomogeneity, and graphite coating application on measurements using laser flash apparatus are systematically investigated.
Luyao Pan +4 more
wiley +1 more source
, 2008 The structure of binary As_xS_{1-x} glasses is elucidated using modulated-DSC, Raman scattering, IR reflectance and molar volume experiments over a wide range (8%
A. Boukenter +29 more
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