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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Shruti Koulgi

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Open access Aug 2026

Comparative Analysis of Algorithms for Extracting Frames from Unexplored Regions in Molecular Dynamics Simulations

Molecular dynamics (MD) simulations are invaluable tools for studying molecular behavior, offering insights into the time-dependent evolution of molecular systems. However, these simulations often face significant limitations in exploring the full conformational space of the complex systems. The high dimensionality and...

Akash Nagare, S. Wagh, Aneesh Kotipalli et al. · 0 citations
Aug 2026

Phytochemical profiling and mechanistic insights into the anxiolytic potential of Sphaeranthus indicus Linn.: A network pharmacology, molecular docking and simulation approach.

The findings from this work provide the first network pharmacology-based evidence for S. indicus' multitarget anxiolytic processes, support its traditional use in neuropsychiatric diseases, and identify various phytochemicals as promising natural lead candidates for anxiolytic medication development.

S. Joshi, Shruti Koulgi, M. Aher et al. · 0 citations

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