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namd software 44 versions 2 12 (Molecular Dynamics Inc)

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Molecular Dynamics Inc namd software 44 versions 2 12
Namd Software 44 Versions 2 12, 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/version+12/namd+software/pm42234578-97-11-0
Average 86 stars, based on 1 article reviews

namd software 44 versions 2 12 - by Bioz Stars, 2026-10

86/100 stars

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Article Title: A new method based on binary mixture concept for prediction of ionic liquids critical properties using molecular dynamics simulation
Article Snippet: In this study, all MD simulations were run using Nanoscale Molecular Dynamics (NAMD) software (version 2.12) (URL link: https://www.ks.uiuc.edu/Research/namd/ ).

Article Title: Binary Solvation Engineering Unlocks Ultra-Stable Cycling of Alloy Foil Anodes in Sodium-Ion Batteries.
Article Snippet: Molecular Dynamics Simulations: The microscopic solvation structure of the DME/THF electrolyte was investigated using molecular dynamics (MD) simulations with LAMMPS (version June 12, 2025) and the CVFF force field.

Article Title: Virtual screening of polyherbal compounds for AKT1 and HSPB1 inhibition in breast cancer apoptosis pathway.
Article Snippet: Breast cancer is still a worldwide health issue, demanding the development of tailored, low-toxicity medicines.. This study looks at the ability of a polyherbal formulation containing Ziziphus mauritiana, Nigella sativa, Phyllanthus niruri, Curcuma longa, and Annona muricata to inhibit the AKT1 and HSPB1 proteins that are involved in cancer growth.. Liquid Chromatography-High Resolution Mass Spectrometry (LC-HRMS) found 23 bioactive chemicals, including 4-Coumaric acid, isovanillic acid, and confertin, exhibiting drug-like properties, membrane permeability, and anticancer bioactivity.

Article Title: Analysis of the effect of crystal evolution on tool diffusion wear based on the change of cutting parameters
Article Snippet: 2 \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\:Mass\:fraction\:of\:an\:element\:in\:the\:compound=\frac{r.a.m.\times\:atom\:Number}{Relative\:molecular\:mass\:of\:substance}\times\:100\%$$\end{document} Based on the molecular dynamics method, a simplified model of Al-Cu-Mg-Fe-Mn-Cr alloy was established by Atomsk (A tool for manipulating and converting atomic data files, Version number : atomsk_b0.12.1_Windows, URL link : https://atomsk.univ-lille.fr/ ).

Article Title: Analysis of the effect of crystal evolution on tool diffusion wear based on the change of cutting parameters.
Article Snippet: × atom Number Relative molecular mass of substance × 100% (2) Based on the molecular dynamics method, a simplified model of Al-Cu-Mg-Fe-Mn-Cr alloy was established by Atomsk (A tool for manipulating and converting atomic data files, Version number : atomsk_b0.12.1_Windows, URL link : https://atomsk.univ-lille.fr/).

Article Title: A Proposed Mechanism for the Initial Myosin Binding Event on the Cardiac Thin Filament: a Metadynamics Study
Article Snippet: Each Tn chain was subject to minimization, heating, and equilibration with the aforementioned constraints with the NanoScale Molecular Dynamics (NAMD)(11) package version 2.12 with the CHARMM36(12) force field.

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Article Title: Structural elucidation, biological significance and computational approach of Copper(ii), Nickel(ii) and Cobalt(ii) with bidentate schiff base of N-(Napthalene-1-ylmethylene)isonicotinohydrazide
Article Snippet: .. Molecular dynamics (MD) simulations were performed using the AMBER14 force field implemented in YASARA Dynamics software (version 19.12.4) . ..

Article Title: Structural elucidation, biological significance and computational approach of Copper(ii), Nickel(ii) and Cobalt(ii) with bidentate schiff base of N-(Napthalene-1-ylmethylene)isonicotinohydrazide.
Article Snippet: .. Molecular dynamics (MD) simulations were performed using the AMBER14 force field implemented in YASARA Dynamics software (version 19.12.4)18. ..

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