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Molecular Dynamics Inc pmemd cuda module
Pmemd Cuda Module, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/pmemd+cuda+module/cuda+pmemd/pm41713750-116-11-0
Average 86 stars, based on 1 article reviews
pmemd cuda module - by Bioz Stars, 2026-09
86/100 stars

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Article Title: Structural Characterization of Glycolytic Enzymes from Trypanosoma cruzi.
Article Snippet: Trypanosoma cruzi, the etiological agent of Chagas disease, depends on glycolysis for ATP production, rendering its glycolytic enzymes attractive targets for therapeutic development.. Here, we report the highresolution crystal structures of two essential glycolytic enzymes, glucose-6-phosphate isomerase (Tc PGI, 1.8 Å) and enolase (Tc enolase, 2.4 Å) and provide structural and computational analyses to support structure-based drug design.. Tc PGI adopts a dimeric αβα sandwich fold and features a parasite-specific 53residue N-terminal extension and a unique C-terminal hook region which both distinguish it from its human ortholog.

Article Title: Structural Basis of Glycolytic Control in Trypanosoma cruzi : Insights from Enolase and PGI
Article Snippet: Molecular dynamics (MD) simulations were conducted using AMBER 20 with the pmemd.cuda module to enable GPU acceleration.

Article Title: Computational Insights into the Molecular Mechanisms of Coptis chinensis Franch. in Treating Chronic Atrophic Gastritis: An Integrated Network Pharmacology, Machine Learning, and Molecular Dynamics Study
Article Snippet: Molecular dynamics (MD) simulations were carried out using AMBER 22 [ ]’s PMEMD.CUDA module [ ] with GPU acceleration.

Software:

Article Title: Machine-learning and simulation identify food-derived xanthine oxidase inhibitors with in-vitro activity
Article Snippet: .. Molecular dynamics (MD) simulations were conducted using the PMEMD.CUDA module within the Amber 22 software suite. ..

Article Title: Machine-learning and simulation identify food-derived xanthine oxidase inhibitors with in-vitro activity.
Article Snippet: .. Molecular dynamics (MD) simulations were conducted using the PMEMD.CUDA module within the Amber 22 software suite. ..

Article Title: N-Acylaminoethyltetrahydroquinolines: A new class of melatonin receptor ligands with in vivo activity on glioblastoma.
Article Snippet: .. Molecular dynamics (MD) simulations were performed with the pmemd.cuda module of Amber20 software [65]. ..



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