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Titlebook: Biomolecules‘ Conformational Changes Studied by Simulations and Enhanced Sampling; Yui Tik (Andrew) Pang Book 2024 The Editor(s) (if appli

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發(fā)表于 2025-3-21 19:05:22 | 只看該作者 |倒序?yàn)g覽 |閱讀模式
期刊全稱Biomolecules‘ Conformational Changes Studied by Simulations and Enhanced Sampling
影響因子2023Yui Tik (Andrew) Pang
視頻videohttp://file.papertrans.cn/193/192711/192711.mp4
發(fā)行地址Nominated as an outstanding PhD thesis by Georgia Institute of Technology, USA.Illuminates the role of biomolecules in cellular functionality, with relevance to drug design.Investigates three biomolec
學(xué)科分類Springer Theses
圖書封面Titlebook: Biomolecules‘ Conformational Changes Studied by Simulations and Enhanced Sampling;  Yui Tik (Andrew) Pang Book 2024 The Editor(s) (if appli
影響因子.This thesis illuminates the critical roles biomolecules, from small molecules to proteins, play in cellular functionality, particularly highlighting their conformational changes in response to environmental cues or binding events—a cornerstone concept in drug design as well as the manifestations of disease. It explores the conformational flexibility of small molecules and proteins, essential for predicting drug interactions and understanding biological processes. Through advanced molecular dynamics simulations and enhanced sampling techniques, this research offers unprecedented insights into the structural dynamics of three distinct biomolecular systems: the capsid assembly modulator AT130, the passenger domain of pertactin, and the SARS-CoV-2 spike protein. Each system represents a unique facet of biological complexity, underscoring the thesis‘s contribution to our understanding of biomolecular behavior across various scales. Furthermore, the thesis advances the field by updating the Force Field Toolkit for improved simulation accuracy. This work not only showcases the adaptability and importance of simulation techniques in modern biological research but also paves the way for no
Pindex Book 2024
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沙發(fā)
發(fā)表于 2025-3-21 23:22:33 | 只看該作者
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https://doi.org/10.1007/978-3-642-99340-4amins that support enzymatic reactions, and hormones that transmit signals and modulate protein activities. Each biomolecule plays its specific role, and collectively, they ensure the organism remains in good health and enable it to overcome the diverse challenges presented in Nature.
地板
發(fā)表于 2025-3-22 07:46:43 | 只看該作者
Metaphysik: Denken im Modus des Leidense Field (CGenFF) 4.0. Our investigations spanned different scales and complexities, demonstrating the versatility and applicability of simulations and enhanced sampling techniques in studying diverse biological systems.
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發(fā)表于 2025-3-22 10:15:58 | 只看該作者
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發(fā)表于 2025-3-22 13:20:13 | 只看該作者
Conclusions and Future Work,e Field (CGenFF) 4.0. Our investigations spanned different scales and complexities, demonstrating the versatility and applicability of simulations and enhanced sampling techniques in studying diverse biological systems.
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發(fā)表于 2025-3-23 04:21:05 | 只看該作者
Uncovering the Folding Mechanism of Pertactin: A Comparative Study of Isolated and Vectorial Foldinr domain of autotransporters is almost always composed of a large β-helix, with only a small portion of it being relevant to its virulence function. This has led to the hypothesis that the folding of the β-helical structure aids the secretion of the passenger domain across the Gram-negative outer me
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發(fā)表于 2025-3-23 08:59:35 | 只看該作者
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