Biomolecules' Conformational Changes Studied by Simulations and Enhanced Sampling

Name: Biomolecules' Conformational Changes Studied by Simulations and Enhanced Sampling
Brand: Springer-Verlag GmbH
SKU: 9783031706042
Price: 597.54 PLN
Availability: InStock

Autor: Yui Tik (Andrew) Pang

Język:

Oprawa: Miękka

Wydawca: Springer-Verlag GmbH

Dostępność: Dostępna u dostawcy

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This thesis illuminates the critical roles biomolecules, from small molecules to proteins, play in c...

Informacje o książce

Autor

Yui Tik (Andrew) Pang

Język

Angielski

Oprawa

Książka - Miękka

Data wydania

2025

strony

EAN

9783031706042

ISBN

3031706048

Enbook ID

49866638

Wydawca

Springer-Verlag GmbH

Waga

184

Wymiary

155 x 235 x 7

Pełny opis

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 novel therapeutic strategies by deepening our understanding of biomolecular dynamics.

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Biomolecules' Conformational Changes Studied by Simulations and Enhanced Sampling

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