Computational Representation Challenges in Protein-Ligand Scoring From Static Structures to Dynamic Reality Understanding AI in Virtual Screening Series It’s quite…
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This 3D visualization represents a t-SNE plot of single-cell RNA sequencing data from a complex tissue sample. t-SNE is a powerful dimensionality reduction technique that allows us to visualize high-dimensional data (in this case, gene expression profiles of individual cells) in a lower-dimensional space while preserving local relationships between data points.
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The Free Energy Landscape (FEL) of c-myc/max protein interactions. Four distinct minimal energy basins were discovered using enhanced sampling methods of Molecular Dynamics Simulations
– Gunasinghe et.al, 2023
Computational Representation Challenges in Protein-Ligand Scoring From Static Structures to Dynamic Reality Understanding AI in Virtual Screening Series It’s quite…
Computational Alchemy III: Diving into Coarse-Grained Molecular Dynamics Coarse-grained molecular dynamics (CGMD) has emerged as a powerful tool in the…
Computational Alchemy II: Diving into All Atom Molecular Dynamics Conventional Molecular Dynamics (cMD), which predominantly considers all atoms, is a…
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