Literature DB >> 18989958

Ab initio modeling of protein/biomaterial interactions: glycine adsorption at hydroxyapatite surfaces.

Albert Rimola1, Marta Corno, Claudio Marcelo Zicovich-Wilson, Piero Ugliengo.   

Abstract

How does glycine adsorb at hydroxyapatite surfaces? Ab initio simulations based on periodic B3LYP GTO calculations reveal the detailed mechanism of binding to the (001) and (010) surfaces by shedding light on how acid and basic amino acid residues of proteins interact with hydroxyapatite based biomaterials.

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Year:  2008        PMID： 18989958     DOI： 10.1021/ja806520d

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN： 0002-7863            Impact factor:   15.419


  11 in total

1.  Modeling the interaction of seven bisphosphonates with the hydroxyapatite(100) face.

Authors:  Chunyu Chen; Mingzhu Xia; Lei Wu; Chao Zhou; Fengyun Wang
Journal:  J Mol Model       Date:  2012-03-27       Impact factor: 1.810

Review 2.  Synthesis, Characterization, Functionalization and Bio-Applications of Hydroxyapatite Nanomaterials: An Overview.

Authors:  Muhammad Usman Munir; Sajal Salman; Ayehsa Ihsan; Tilal Elsaman
Journal:  Int J Nanomedicine       Date:  2022-05-02

3.  The Role of Hydroxyl Channel in Defining Selected Physicochemical Peculiarities Exhibited by Hydroxyapatite.

Authors:  Vuk Uskoković
Journal:  RSC Adv       Date:  2015       Impact factor: 3.361

4.  Amino acid adsorption on anatase (101) surface at vacuum and aqueous solution: a density functional study.

Authors:  Liuxie Liu; Kai Li; Xiao Chen; Xiaoqin Liang; Yan Zheng; Laicai Li
Journal:  J Mol Model       Date:  2018-03-29       Impact factor: 1.810

5.  The importance of amino acid interactions in the crystallization of hydroxyapatite.

Authors:  M Tavafoghi Jahromi; G Yao; M Cerruti
Journal:  J R Soc Interface       Date:  2012-12-26       Impact factor: 4.118

6.  Stabilization of zwitterionic versus canonical proline by water molecules.

Authors:  Gang Yang; Lijun Zhou; Yang Chen
Journal:  Springerplus       Date:  2016-01-06

7.  Silicon Nitride: A Synthetic Mineral for Vertebrate Biology.

Authors:  Giuseppe Pezzotti; Bryan J McEntire; Ryan Bock; Marco Boffelli; Wenliang Zhu; Eleonora Vitale; Leonardo Puppulin; Tetsuya Adachi; Toshiro Yamamoto; Narisato Kanamura; B Sonny Bal
Journal:  Sci Rep       Date:  2016-08-19       Impact factor: 4.379

8.  Probing the surface structure of hydroxyapatite through its interaction with hydroxyl: a first-principles study.

Authors:  Xian Wang; Li Zhang; Zeyu Liu; Qun Zeng; Gang Jiang; Mingli Yang
Journal:  RSC Adv       Date:  2018-01-18       Impact factor: 4.036

Review 9.  Hydroxylapatite and Related Minerals in Bone and Dental Tissues: Structural, Spectroscopic and Mechanical Properties from a Computational Perspective.

Authors:  Gianfranco Ulian; Daniele Moro; Giovanni Valdrè
Journal:  Biomolecules       Date:  2021-05-13

10.  A biphasic nanohydroxyapatite/calcium sulphate carrier containing Rifampicin and Isoniazid for local delivery gives sustained and effective antibiotic release and prevents biofilm formation.

Authors:  Irfan Qayoom; Rahul Verma; Prem Anand Murugan; Deepak Bushan Raina; Arun Kumar Teotia; Saravanan Matheshwaran; Nisanth N Nair; Magnus Tägil; Lars Lidgren; Ashok Kumar
Journal:  Sci Rep       Date:  2020-08-24       Impact factor: 4.379
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