Results 31 to 40 of about 27,388,041 (218)
MOLECULAR MODELS FOR EXPLOSIVES [PDF]
Le Journal de Physique Colloques, 1987 Molecular properties of various kinds have been obtained for explosives. Crystal density calculations, performed by entirely empirical methods, for nitrates and perchlorates are presented. Heats of formation, geometries, and bond dissociation (BDE's) energies were obtained for several explosives, using the semi-empirical AM1 molecular orbital method ...
Ritchie, J.P., Bachrach, S.M.
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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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Chimeric Antigen Receptor T Cells Targeting Cell Surface GRP78 to Eradicate Acute Myeloid Leukemia
Frontiers in Cell and Developmental Biology, 2022 Acute myeloid leukemia (AML) is a serious, life-threatening hematological malignancy. The treatment outcome of relapsed or refractory AML patients remains dismal, and new treatment options are needed.
Wei Yu +6 more
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Quaternions in molecular modeling [PDF]
Journal of Molecular Graphics and Modelling, 2007 Quaternions are an important tool to describe the orientation of a molecule. This paper considers the use of quaternions in matching two conformations of a molecule, in interpolating rotations, in performing statistics on orientational data, in the random sampling of rotations, and in establishing grids in orientation space.
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Antigenic molecular mimicry in viral-mediated protection from cancer: the HIV case
Journal of Translational Medicine, 2022 Background People living with HIV/AIDS (PLWHA) show a reduced incidence for three cancer types, namely breast, prostate and colon cancers. In the present study, we assessed whether a molecular mimicry between HIV epitopes and tumor associated antigens ...
Carmen Manolio +10 more
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Cells, 2022 Angelman syndrome (AS) is a neurodevelopmental disorder caused by deficits in maternally inherited UBE3A. The disease is characterized by intellectual disability, impaired motor skills, and behavioral deficits, including increased anxiety and autism ...
Linn Amanda Syding +7 more
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Molecular Modeling on the Web [PDF]
BioTechniques, 2001 With the worldwide genomic sequencing efforts producing a steady stream of data, the sequences of tens of thousands of proteins can now be determined. Understanding protein function requires knowledge of protein structure. Information on the 3-D structure of a protein can provide insight to the protein’s interactions with other molecules; this ...
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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
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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
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