Results 11 to 20 of about 2,147,957 (198)
Computational protein design [PDF]
Nature Reviews Methods PrimersCombining molecular modelling, machine-learned models and an increasingly detailed understanding of protein chemistry and physics, computational protein design and human expertise have been able to produce new protein structures, assemblies and functions that do not exist in nature. Currently, generative deep-learning-based methods, which exploit large
Katherine I Albanese +2 more
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IEEE Access, 2021 Cancer is a major cause of death worldwide and becomes particularly threatening once it begins to metastasize. During metastasis, the blood vessels serve as pathways for cancerous cell transportation and hence are crucial for understanding cancer growth.
Junhong Shen +3 more
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Scientific Reports, 2023 Although often regarded a childhood toy, the design of paper airplanes is subtly complex. The design space and mapping from geometry to distance flown is highly nonlinear and probabilistic where a single airplane design exhibits a multitude of trajectory
Nana Obayashi +3 more
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Quantifying Specific Operation Airborne Collision Risk through Monte Carlo Simulation
Aerospace, 2023 Integration of Uncrewed Aircraft into unsegregated airspace requires robust and objective risk assessment in order to prevent exposure of existing airspace users to additional risk.
Aliaksei Pilko +2 more
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Computational protein design [PDF]
Structure, 1999 A 'protein design cycle', involving cycling between theory and experiment, has led to recent advances in rational protein design. A reductionist approach, in which protein positions are classified by their local environments, has aided development of an appropriate energy expression. The computational principles and practicalities of the protein design
Street, Arthur G., Mayo, Stephen L.
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Exploring and machine learning structural instabilities in 2D materials
npj Computational Materials, 2023 We address the problem of predicting the zero-temperature dynamical stability (DS) of a periodic crystal without computing its full phonon band structure.
Simone Manti +4 more
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Advanced Timber Construction Industry: A Review of 350 Multi-Storey Timber Projects from 2000–2021
Buildings, 2022 Throughout the last two decades the timber building sector has experienced a steady growth in multi-storey construction. Although there has been a growing number of research focused on trends, benefits, and disadvantages in timber construction from ...
Hana Svatoš-Ražnjević +2 more
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Quantum point defects in 2D materials - the QPOD database
npj Computational Materials, 2022 Atomically thin two-dimensional (2D) materials are ideal host systems for quantum defects as they offer easier characterisation, manipulation and read-out of defect states as compared to bulk defects.
Fabian Bertoldo +3 more
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Computational protein design [PDF]
Current Opinion in Chemical Biology, 2001 The field of computational protein design is reaching its adolescence. Protein design algorithms have been applied to design or engineer proteins that fold, fold faster, catalyze, catalyze faster, signal, and adopt preferred conformational states. Further developments of scoring functions, sampling strategies, and optimization methods will expand the ...
C M, Kraemer-Pecore +2 more
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Journal of Facade Design and Engineering, 2021 The project seeks to create a building envelope that functions as structure, enclosure, and insulation, which is assembled from one solid timber construction element type.
Oliver Bucklin +5 more
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