Computational simulations
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Computational Simulations in Drug Discovery: Modeling Protein Folding and Drug Binding
Abstract: Computational simulations have become essential tools in drug discovery, offering unprecedented insights into molecular behavior at the atomic level. These simulations, particularly in the domains of protein folding and drug binding, allow for the exploration of complex biological systems that are often difficult to study experimentally. Protein folding, a critical aspect of drug discovery, involves the transition of a polypeptide chain from an unfolded to a biologically active structure. Understanding …
Published in Research and Reviews : Journal of Computational Biology · Vol. 14, Issue 1, 2025 · pp. 23–29 Read article
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Investigating Temperature Effects on Thermal Analysis of Composite Heat Pipes with Diverse Geometrical Configurations
Abstract: As the demand for efficient heat dissipation technologies continues to surge, understanding the intricate interplay between temperature variations and the thermal performance of heat pipes assumes paramount importance. This study investigates the impact of temperature fluctuations on the thermal behaviour of heat pipes with diverse geometric configurations. A comprehensive analysis is conducted utilizing advanced computational simulations coupled with experimental validation techniques. Heat pipes are an innovative heat transfer device with …
Published in Journal of Polymer & Composites · Vol. 12, Issue 3, 2024 · pp. 20–34 Read article