Results 41 to 50 of about 26,891,998 (226)
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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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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In silico design and evaluation of a multi-epitope and multi-antigenic African swine fever vaccine
ImmunoInformatics, 2022 African Swine Fever (ASF) is caused by a highly contagious and fatal hemorrhagic virus, which in 2019 alone in Asia, has killed 8 million pigs with a devastating estimated economic loss amounting to $130 billion.
Ara Karizza G. Buan +3 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
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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BEAST: Bayesian evolutionary analysis by sampling trees [PDF]
, 2007 Background The evolutionary analysis of molecular sequence variation is a statistical enterprise. This is reflected in the increased use of probabilistic models for phylogenetic inference, multiple sequence alignment, and molecular population genetics ...
Drummond, Alexei J., Rambaut, Andrew
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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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The Plant Journal, 1993 Advances in determination of polymer structure and in preservation of structure for electron microscopy provide the best view to date of how polysaccharides and structural proteins are organized into plant cell walls.
N. Carpita, D. Gibeaut
semanticscholar +1 more source
Nearly defect-free dynamical models of disordered solids: The case of amorphous silicon [PDF]
, 2018 It is widely accepted in the materials modeling community that defect-free realistic networks of amorphous silicon cannot be prepared by quenching from a molten state of silicon using classical or ab initio molecular-dynamics (MD) simulations.
Bartenev G. +3 more
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CD166-specific CAR-T cells potently target colorectal cancer cells
Translational Oncology, 2023 Chimeric antigen receptor (CAR) T-cell therapy is emerging as an effective cancer treatment, such as for hematological malignancies, however its effectiveness as an approach to treat solid tumors, such as in colorectal cancer (CRC), remains to be better ...
Shuai He +8 more
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