A review on hydroxyapatite coatings for the biomedical applications: experimental and theoretical perspectives

Shikha Awasthi, Sarvesh Kumar Pandey, E. Arunan and Chandan Srivastava

J. Mater. Chem. B, 2021, 9, 228
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Impact of glutamate carboxylation in the adsorption of the α-1 domain of osteocalcin to hydroxyapatite and titania

Sarah Alamdari and Jim Pfaendtner

Mol. Syst. Des. Eng., 2020, 5, 620
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Advanced materials for enamel remineralization

Jiarong Xu, Hui Shi, Jun Luo, Haiyan Yao, Pei Wang, Zhihua Li and Junchao Wei

Front. Bioeng. Biotechnol., 2022, 10
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Metadynamics Simulations of the pH-Dependent Adsorption of Phosphoserine and Citrate on Disordered Apatite Surfaces: What Interactions Govern the Molecular Binding?

Baltzar Stevensson and Mattias Edén

J. Phys. Chem. C, 2021, 125, 11987
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Nuclear Magnetic Resonance and Metadynamics Simulations Reveal the Atomistic Binding of l-Serine and O-Phospho-l-Serine at Disordered Calcium Phosphate Surfaces of Biocements

Renny Mathew, Baltzar Stevensson, Michael Pujari-Palmer, Christopher S. Wood, Phillip R. A. Chivers, Christopher D. Spicer, Hélène Autefage, Molly M. Stevens, Håkan Engqvist and Mattias Edén

Chem. Mater., 2022, 34, 8815
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Simulation Insight into the Synergic Role of Citrate and Polyaspartic Peptide in Biomineralization

Jinxiang Zeng, Shengjiang Yang, Hai Yu, Zhiyong Xu, Xuebo Quan and Jian Zhou

Langmuir, 2021, 37, 3410
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Molecular Simulation of Statherin Adsorption on Hydroxyapatite (001) Surface

Liang Ding, Jinxiang Zeng, Muzhong Luo and Jian Zhou

Adv Materials Inter, 2022, 9
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Biomolecular Binding at Aqueous Interfaces of Langmuir Monolayers of Bioconjugated Amphiphilic Mesogenic Molecules: A Molecular Dynamics Study

Go Watanabe, Hiroki Eimura, Nicholas L. Abbott and Takashi Kato

Langmuir, 2020, 36, 12281
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Microbe-mediated transformation of metal sulfides: Mechanisms and environmental significance

Zhu Su, Xin Li, Yanni Xi, Tanghuan Xie, Yanfen Liu, Bo Liu, Huinian Liu, Weihua Xu and Chang Zhang

Science of The Total Environment, 2022, 825, 153767
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Enamel remineralization via poly(amido amine) and adhesive resin containing calcium phosphate nanoparticles

Yuan Gao, Kunneng Liang, Michael D. Weir, Jianghong Gao, Satoshi Imazato, Franklin R. Tay, Christopher D. Lynch, Thomas W. Oates, Jiyao Li and Hockin H.K. Xu

Journal of Dentistry, 2020, 92, 103262
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Probing the surface activity of hydroxyapatite nanoparticles through their interaction with water molecules

Xia Wang, Hong Wu, Xiajie Cheng, Mingli Yang and Li Zhang

AIP Advances, 2020, 10
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Structure and formation of amorphous calcium phosphate and its role as surface layer of nanocrystalline apatite: Implications for bone mineralization

Mattias Edén

Materialia, 2021, 17, 101107
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Coarse-grained simulations of lysozyme-silica-nanoparticle corona

Lanlan Qin, Gaobo Yu and Jian Zhou

Biointerphases, 2023, 18
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Interaction of Statherin-Derived Peptide with the Surface of Hydroxyapatite: Perspectives Based on Molecular Dynamics Simulations

Carolina Ruis Ferrari, Tiago Espinosa de Oliveira, Marília Afonso Rabelo Buzalaf and Paulo Augusto Netz

Caries Res, 2024, 58, 431
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Aquatic Functional Liquid Crystals: Design, Functionalization, and Molecular Simulation

Takashi Kato, Junya Uchida, Yoshiki Ishii and Go Watanabe

Advanced Science, 2024, 11
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Molecular simulations of charged complex fluids: A review

Zhiyong Xu, Zhongjin He, Xuebo Quan, Delin Sun, Zhaohong Miao, Hai Yu, Shengjiang Yang, Zheng Chen, Jinxiang Zeng and Jian Zhou

Chinese Journal of Chemical Engineering, 2021, 31, 206
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Unveiling the mechanism of an amelogenin-derived peptide in promoting enamel biomimetic remineralization

Die Hu, Qian Ren, Zhongcheng Li, Sili Han, Longjiang Ding, Ziqian Lu and Linglin Zhang

International Journal of Biological Macromolecules, 2023, 253, 127322
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Aluminum adsorption using different models of hydroxyapatite via Molecular Dynamic simulations

Florianne Castillo-Borja and Ulises I. Bravo-Sánchez

Journal of Molecular Liquids, 2024, 395, 123899
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Phosphorylation of a Disordered Peptide—Structural Effects and Force Field Inconsistencies

Ellen Rieloff and Marie Skepö

J. Chem. Theory Comput., 2020, 16, 1924
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Reinforced dentin remineralization via a novel dual-affinity peptide

Menglin Fan, Zilin Zhou, Wanchun Zhu, Meng Li, Yuanyuan Tu, Zhaohan Yu, Jiyao Li, Min Zhang and Kunneng Liang

Dental Materials, 2024, 40, 254
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