Results 21 to 30 of about 3,509,714 (267)
international journal of engineering technology and management sciences, 2023 In this paper, the modelling of molecule is presented. Chemistry, as the central science, utilizes models in virtually every aspect of the discipline. Integral to the progress of chemistry has been its ability to draw from physics, mathematics, statistics, and computer science to develop new sub disciplines, such as computational chemistry.
null Bharat Kumar S. Ankalagi +7 more
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Cell Death Discovery, 2021 Essential oils (EOs) have been recently emerging for their promising biological activities in preventing tumorigenesis or progression of different tumor histotypes, including melanoma.
Marta Di Martile +6 more
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Many Molecular Properties from One Kernel in Chemical Space [PDF]
, 2015 We introduce property-independent kernels for machine learning modeling of arbitrarily many molecular properties. The kernels encode molecular structures for training sets of varying size, as well as similarity measures sufficiently diffuse in chemical ...
Ramakrishnan, Raghunathan +1 more
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Cell & Bioscience, 2019 Zinc finger 644 (Zfp644 in mouse, ZNF644 in human) gene is a transcription factor whose mutation S672G is considered a potential genetic factor of inherited high myopia.
Katarzyna I. Szczerkowska +17 more
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Pharmaceutical Biology, 2020 Context L-DOPA is the first-line drug for Parkinson’s disease (PD). However, chronic use can lead to dyskinesia. Caffeine, which is a known neuroprotectant, can potentially act as an adjunct to minimise adverse effects of L-DOPA.
Rafael Vincent M. Manalo +1 more
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Lipophilicity in Molecular Modeling
Pharmaceutical Research, 1996 The molecular lipophilicity potential (MLP) offers a three-dimensional representation of lipophilicity, a molecular property encoding intermolecular recognition and intramolecular interactions.The interest and applications of the MLP in molecular modeling are varied, as illustrated here.The MLP is a major tool to assess the dependence of lipophilicity ...
Testa, Bernard +4 more
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Phase behaviour and dynamics in primitive models of molecular ionic liquids [PDF]
, 2011 The phase behaviour and dynamics of molecular ionic liquids are studied using primitive models and extensive computer simulations. The models account for size disparity between cation and anion, charge location on the cation, and cation-shape anisotropy,
Camp, P. J., Ganzenmüller, G. C.
core +4 more sources
The epigenetic modifier Fam208a is required to maintain epiblast cell fitness
Scientific Reports, 2017 Gastrulation initiates with the formation of the primitive streak, during which, cells of the epiblast delaminate to form the mesoderm and definitive endoderm.
Shohag Bhargava +8 more
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Lymphocryptovirus-dependent occurrence of lymphoma in SIV-infected rhesus macaques with particular consideration to two uncommon cases of non-Hodgkin's lymphoma [PDF]
Primate Biology, 2016 Despite combination antiretroviral therapy, high-grade malignant non-Hodgkin's lymphoma (NHL) is still one of the most frequently acquired immunodeficiency syndrome (AIDS)-defining disorders in the end stage of infection with human immunodeficiency virus
A. Klippert +8 more
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Galaxy chemical evolution models: The role of molecular gas formation [PDF]
, 2017 In our classical grid of multiphase chemical evolution models, star formation in the disc occurs in two steps: first, molecular gas forms, and then stars are created by cloud-cloud collisions or interactions of massive stars with the surrounding ...
Ascasibar, Yago +4 more
core +2 more sources