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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/open-source+software/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: Gradient chaotropic regulation of Zn 2+ solvation chemistry for low-temperature zinc metal batteries.
Article Snippet: Material were characterized: Fourier Transform Infrared (FTIR) spectra were achieved on a Thermo Fisher Nicolet Antaris II spectrometer over the range of 4000-500 cm−1 (zinc selenide (ZnSe) trapezoid prism serving as the reflective element for in situ measurements); Raman spectroscopy was conducted using a HORIBA LabRAM HR Evolution system equipped with a 532 nm laser; Nuclear Magnetic Resonance (NMR) spectra were recorded on a Bruker AV II-600 MHz instrument; X-ray diffraction (XRD) data were collected via a D8 ADVANCE diffractometer (Bruker AXS); Morphological analysis was carried out using a Tescan MAIA3 XMU fieldemission scanning electron microscope (SEM); The composition of the solid electrolyte interface (SEI) was examined via high-resolution transmission electron microscopy (HRTEM, JEOL F200).

Software:

Article Title: Crystal interface mechanics of cold-water coral skeletons
Article Snippet: .. All Molecular Dynamics simulations were carried out using open-source software LAMMPS [ ]. ..

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: 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: A molecular dynamics study of spontaneous imbibition of water in silica nanoslits.
Article Snippet: Context Spontaneous imbibition plays an important role in enhancing oil recovery for shale oil reservoirs after hydraulic fracturing.. In this work, the spontaneous imbibition of the water-oil system in the hydroxylated silica nanoslit is investigated by the molecular dynamics simulation (MD) method.. The effects of slit width, temperature, and surfactant on the imbibition behavior are mainly considered from the molecular level.

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). ..



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