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openmm  (Molecular Dynamics Inc)

 
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    Molecular Dynamics Inc openmm
    Openmm, 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/openmm/openmm/pm42319879-46-7-0
    Average 86 stars, based on 1 article reviews
    openmm - by Bioz Stars, 2026-09
    86/100 stars

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    Article Title: Elucidating the binding mechanism of Caralluma tuberculata metabolites with type 2 diabetes targets through molecular docking and dynamics simulations.
    Article Snippet: Molecular dynamics (MD) simulations were performed on the selected amylase luteolin, sucrase luteolin, and α-glucosidase luteolin complexes for 60 ns using OpenMM.

    Article Title: Matrix Control of Solvent and Electron Flow in a Nonheme Diiron Nitrite Reductase
    Article Snippet: Molecular dynamics (MD) simulations were conducted using OpenMM with the CHARMM36 force field.

    Article Title: Matrix Control of Solvent and Electron Flow in a Nonheme Diiron Nitrite Reductase.
    Article Snippet: Molecular dynamics (MD) simulations were conducted using OpenMM with the CHARMM36 force field.30 The starting structure was the S. aureus ScdA C-terminal domain (residues 67−224; PDB 9j47).

    Article Title: Above-Filter Digestion Proteomics Reveals Drug Targets and Localizes Ligand Binding Site
    Article Snippet: Molecular dynamics simulations were performed using OpenMM using the Amber ff14SB force field.

    Article Title: Elucidating the binding mechanism of Caralluma tuberculata metabolites with type 2 diabetes targets through molecular docking and dynamics simulations
    Article Snippet: Molecular dynamics (MD) simulations were performed on the selected amylase luteolin, sucrase luteolin, and α-glucosidase luteolin complexes for 60 ns using OpenMM.

    Article Title: Transferable generative models bridge femtosecond to nanosecond time-step molecular dynamics.
    Article Snippet: A. Mitchell, v. S. Pande, J. P. Rodrigues, J. Rodriguez- Guerra, A. c. Simmonett, S. Singh, J. Swails, P. turner, Y. Wang, i. Zhang, J. D. chodera, G. De Fabritiis, t. e. Markland, OpenMM 8: Molecular dynamics simulation with machine learning potentials.

    Article Title: A Phase-Resolved Geometric Deep Learning Framework Maps Structural Determinants of Disease-Associated Protein Aggregation and Guides Suppressor Design.
    Article Snippet: P. Eastman, J. Swails, J. D. Chodera, et al., “OpenMM 7: Rapid evelopment of High Performance Algorithms for Molecular Dynamics,” LOS Computational Biology 13 (2017): 1005659, https://doi.org/10.1371/ ournal.pcbi.1005659 .

    Generated:

    Article Title: A molecular-dynamics-guided screening pipeline identifies topical glucocorticoid receptor modulators with selective epidermal activation.
    Article Snippet: Skin Pharmacol Physiol , DOI: 10.1159/000553135 Received: November 3, 2025 Accepted: June 12, 2026 Published online: June 19, 2026



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