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Molecular Dynamics Inc open source gromacs 2021 5 software package
Open Source Gromacs 2021 5 Software Package, 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/source+software+package/2021+3+gromacs/10__1016_slash_j__foodhyd__2026__112928-118-8-0
Average 86 stars, based on 1 article reviews
open source gromacs 2021 5 software package - by Bioz Stars, 2026-10
86/100 stars

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Article Title: Target Binding of Black Phosphorus Nanomaterial to Polo‐Like Kinase 1 for Cancer Chemotherapy: A Mutual Selection of Nanomaterial and Protein
Article Snippet: .. Molecular dynamics simulations were performed for 100 ns to investigate the effect of BPNS on the protein structure using the Gromacs 5.1.5 open‐source software package [ ]. ..

Article Title: Thermostability engineering of microbial transglutaminase using artificial intelligence and investigation of its underlying mechanisms
Article Snippet: .. Molecular dynamics (MD) simulations were performed using the Gromacs 2021.5 open-source software package (Spoel, et al. ). ..

Article Title: Nanobubble nucleation dynamics in reacting microdroplets: Insights from confocal laser scanning microscopy and molecular dynamics simulations.
Article Snippet: .. Molecular dynamics simulations were performed using the open source software package GROMACS 2019.6 [31], with interparticle Journal of Colloid And Interface Science 706 (2026) 139562 ..

Article Title: Molecular dynamics study on the impact of surface nanostructures and interfacial coupling strength on thermal transport at the Cu-water interface
Article Snippet: The thermal transport at the solid-liquid interface at the nanoscale plays a crucial role in the fields of micro-nano devices, chips and nanofluids.. However, the microscopic mechanism of thermal transport at the solid-liquid interface, especially considering the influence of surface nanostructures and interface coupling strength, is still unclear.. In this study, the interfacial thermal transport in Cu-water confined nanochannels is studied based on Molecular Dynamics simulation.

Article Title: The Ca 2+ sensor STIM1 promotes neuronal ferroptosis by regulating iron homeostasis to exacerbate brain injury after intracerebral hemorrhage.
Article Snippet: .. Molecular dynamics simulation was performed using the Gromacs 2021.5 open-source software package. ..

Article Title: Molecular interactions between curcumin and diverse-source type Ⅰ/II gelatins: Complex fabrication and utilization in pickering emulsion systems
Article Snippet: This study systematically compared the interactions between gelatins derived from different collagen sources (fish and bovine, corresponding to type I and type II collagen) and curcumin (Cur), focusing on the structural and interfacial properties of the resulting complexes.. Four gelatin-Cur complexes (fish/bovine type I and II) were prepared via pH cycling, all achieving encapsulation efficiencies exceeding 80%.. Particle size and zeta potential analysis showed that type I gelatin (FGI: 632.51 nm, − 18.53 mV; BGI: 664.47 nm, − 17.22 mV) had smaller particle sizes and higher absolute zeta potentials than type II gelatin (FGII: 747.13 nm, − 16.69 mV; BGII: 764.13 nm, − 15.02 mV).

Article Title: Thermostability engineering of microbial transglutaminase using artificial intelligence and investigation of its underlying mechanisms.
Article Snippet: .. Molecular dynamics (MD) simulations were performed using the Gromacs 2021.5 open-source software package (Spoel, et al. 2005). ..

other:

Article Title: The small molecule ML233 is a direct inhibitor of tyrosinase function
Article Snippet: Molecular dynamics and binding stability of ML233 and glycosylated tyrosinase was analyzed using the open-source software package Gromacs5.1.5 .



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