Results 31 to 40 of about 27,132,286 (267)
Conditional molecular design with deep generative models [PDF]
Journal of Chemical Information and Modeling, 2018 Although machine learning has been successfully used to propose novel molecules that satisfy desired properties, it is still challenging to explore a large chemical space efficiently.
Seokho Kang, Kyunghyun Cho
semanticscholar +1 more source
Interstellar Turbulence and Star Formation [PDF]
, 2010 We provide a brief overview of recent advances and outstanding issues in simulations of interstellar turbulence, including isothermal models for interior structure of molecular clouds and larger-scale multiphase models designed to simulate the formation ...
Alexei G. Kritsuk +19 more
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Inverse molecular design using machine learning: Generative models for matter engineering
Science, 2018 The discovery of new materials can bring enormous societal and technological progress. In this context, exploring completely the large space of potential materials is computationally intractable.
Benjamín Sánchez-Lengeling +1 more
semanticscholar +1 more source
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
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
doaj +1 more source
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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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
core +2 more sources
Hybrid theoretical models for molecular nanoplasmonics.
Journal of Chemical Physics, 2020 The multidisciplinary nature of the research in molecular nanoplasmonics, i.e., the use of plasmonic nanostructures to enhance, control, or suppress properties of molecules interacting with light, led to contributions from different theory communities ...
E. Coccia +5 more
semanticscholar +1 more source
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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