Silica In Silico: A Molecular Dynamics Characterization of the Early Stages of Protein Embedding for Atom Probe Tomography
Abstract
:1. Introduction
2. Materials and Methods
2.1. System Structures and Setup
2.2. MD Protocol and Force Field
2.3. Analysis Protocol
3. Results
3.1. MD Assessment of the Water–Silica System
3.2. MD Assessment of Ubiquitin
3.3. MD Assessment of the SUMO-1 Systems
3.4. MD Assessment of the IL22R1 System
4. Discussion and Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Novi Inverardi, G.; Carnovale, F.; Petrolli, L.; Taioli, S.; Lattanzi, G. Silica In Silico: A Molecular Dynamics Characterization of the Early Stages of Protein Embedding for Atom Probe Tomography. Biophysica 2023, 3, 276-287. https://doi.org/10.3390/biophysica3020018
Novi Inverardi G, Carnovale F, Petrolli L, Taioli S, Lattanzi G. Silica In Silico: A Molecular Dynamics Characterization of the Early Stages of Protein Embedding for Atom Probe Tomography. Biophysica. 2023; 3(2):276-287. https://doi.org/10.3390/biophysica3020018
Chicago/Turabian StyleNovi Inverardi, Giovanni, Francesco Carnovale, Lorenzo Petrolli, Simone Taioli, and Gianluca Lattanzi. 2023. "Silica In Silico: A Molecular Dynamics Characterization of the Early Stages of Protein Embedding for Atom Probe Tomography" Biophysica 3, no. 2: 276-287. https://doi.org/10.3390/biophysica3020018