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Molecular Dynamics Inc gromacs2021 5 software package
Gromacs2021 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/software+package/2021+3+gromacs/pm42297241-230-6-2
Average 86 stars, based on 1 article reviews
gromacs2021 5 software package - by Bioz Stars, 2026-09
86/100 stars

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Related Articles

other:

Article Title: In vitro anti-parasitic effects of scorpion peptides Smp24 and Smp43 on Trichinella spiralis: Toxicity, ultrastructural alterations, molecular docking, and gene expression.
Article Snippet: Trichinella spiralis is a zoonotic nematode responsible for trichinellosis, a disease with significant public health and economic implications.. The current treatment of trichinellosis has limited efficacy, so the development of novel therapeutic agents is essential for effective parasite control.. Scorpion venoms contain active compounds, including antimicrobial peptides (AMPs), which have efficacy against a variety of microbes principally through membrane destruction.

Article Title: Equilibrium and non-equilibrium thermodynamics in drug repurposing: Machine learning-guided discovery of high-affinity WEE1 kinase inhibitors.
Article Snippet: WEE1 kinase represents a promising therapeutic target in oncology due to its critical role in cell cycle checkpoint regulation.. Traditional drug discovery for WEE1 inhibitors has been constrained by the time and resource demands of conventional screening.. Here, we integrate machine learning with equilibrium and non-equilibrium thermodynamic analyses to identify potential WEE1 inhibitors from FDA-approved drug libraries.

Software:

Article Title: Supramolecular strategy for compartment pathogen clearance and immuno-metabolic homeostasis to treat periodontitis.
Article Snippet: .. Molecular dynamics simulations were performed using GROMACS 2021.7 software. ..

Article Title: Structural and mechanistic insights into the VP14460-VP14465 effector-immunity module of the Vibrio parahaemolyticus type VI secretion system.
Article Snippet: .. 421 422 Molecular-dynamics simulations 423 The GROMACS2021.5 software package is utilized for conducting molecular dynamics simulations of 424 protein-ligand interactions, employing the Amber14sb force field. ..

Article Title: Characterization and Identification of Potential Allergenic Proteins in Sophora japonica L. Pollen.
Article Snippet: Sophora japonica L. pollen (SJP) is an emerging cause of urban seasonal allergies such as asthma and rhinitis.. This study systematically evaluated the allergenicity of SJP using both in vivo and in vitro experiments.. In vivo, a mouse model was employed in which SJP induced typical allergic symptoms, including sneezing and rubbing behavior, elevated serum IgE and IL-4 levels, and reduced IFN-γ levels.

Solvent:

Article Title: Countering postoperative immune suppression with a self-assembling dendritic cell nanovaccine
Article Snippet: Molecular dynamics simulations : Initial peptide conformations were generated via the PEP-FOLD4 web server ( https://bioserv.rpbs.univ-paris-diderot.fr/services/PEP-FOLD4/ ) [ ]. .. Molecular dynamics simulations were implemented in GROMACS 2021.6 using the CHARMM36 force field with TIP3P explicit solvent [ ]. ..



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