Results 41 to 50 of about 27,388,041 (218)
Journal of Pharmacy And Bioallied Sciences, 2009 The use of computational chemistry in the development of novel pharmaceuticals is becoming an increasingly important tool. In the past, drugs were simply screened for effectiveness. The recent advances in computing power and the exponential growth of the knowledge of protein structures have made it possible for organic compounds to be tailored to ...
Aarti Sharma, Himanshu Gupta
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Materials and Molecular Modeling at the Exascale [PDF]
Computing in Science & Engineering, 2022 Progression of computational resources towards exascale computing makes possible simulations of unprecedented accuracy and complexity in the fields of materials and molecular modelling (MMM), allowing high fidelity in silico experiments on complex materials of real technological interest.
Thomas W. Keal +16 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.
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Complexity of Restricted and Unrestricted Models of Molecular Computation [PDF]
, 1996 In [9] and [2] a formal model for molecular computing was proposed, which makes focused use of affinity purification. The use of PCR was suggested to expand the range of feasible computations, resulting in a second model.
Winfree, Erik
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Bio-Protocol, 2023 The CRISPR/Cas9 system is a powerful tool for gene repair that holds great potential for gene therapy to cure monogenic diseases. Despite intensive improvement, the safety of this system remains a major clinical concern.
Ngoc Tung Tran +5 more
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Molecular-orbital representation of generic flat-band models
, 2019 We develop a framework to describe a wide class of flat-band models, with and without a translational symmetry, by using "molecular orbitals" introduced in the prior work (HATSUGAI Y. and MARUYAMA I., \textit{EPL}, \textbf{95}, (2011) 20003).
Hatsugai, Yasuhiro, Mizoguchi, Tomonari
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Journal of Translational Medicine, 2023 Background Glioblastoma (GBM) is recognized as among the most aggressive forms of brain tumor. Patients typically present with a five-year survival rate of less than 6% with traditional surgery and chemoradiotherapy, which calls for novel immunotherapies
Shijie Wang +6 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
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Molecular pathways of major depressive disorder converge on the synapse
Molecular Psychiatry, 2022 Major depressive disorder (MDD) is a psychiatric disease of still poorly understood molecular etiology. Extensive studies at different molecular levels point to a high complexity of numerous interrelated pathways as the underpinnings of depression. Major
G. Fries +3 more
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Turbulent Driving Scales in Molecular Clouds
, 2009 Supersonic turbulence in molecular clouds is a dominant agent that strongly affects the clouds' evolution and star formation activity. Turbulence may be initiated and maintained by a number of processes, acting at a wide range of physical scales.
Anathpindika +56 more
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