Simulation insights into the lipase adsorption on zeolitic imidazolate framework-8.

[1]  M. Dhanavade,et al.  Molecular Modeling Insights into Metal-Organic Frameworks (MOFs) as a Potential Matrix for Immobilization of Lipase: An In Silico Study. , 2023, Biology.

[2]  W. Du,et al.  Immobilization of Lipase on Metal-Organic frameworks for biodiesel production , 2022, Journal of Environmental Chemical Engineering.

[3]  Shihan Zhang,et al.  Zeolitic imidazolate frameworks with different organic ligands as carriers for Carbonic Anhydrase immobilization to promote the absorption of CO2 into tertiary amine solution , 2022, Chemical Engineering Journal.

[4]  Wei Du,et al.  Immobilization of Lipase from Thermomyces lanuginosus in Magnetic Macroporous ZIF-8 Improves Lipase Reusability in Biodiesel Preparation , 2021, ACS omega.

[5]  A. Dalai,et al.  Metal–organic framework-based functional catalytic materials for biodiesel production: a review , 2021 .

[6]  W. Du,et al.  Lipase Immobilization on Macroporous ZIF-8 for Enhanced Enzymatic Biodiesel Production , 2021, ACS omega.

[7]  Libo Li,et al.  Lysozyme adsorption on porous organic cages: a molecular simulation study. , 2020, Langmuir : the ACS journal of surfaces and colloids.

[8]  Jianwen Jiang,et al.  Atomistic Simulation Study of Polyarylate/Zeolitic-Imidazolate Framework Mixed-Matrix Membranes for Water Desalination , 2020 .

[9]  Jian Zhou,et al.  Electrostatic effect of functional surfaces on the activity of adsorbed enzyme: simulations and experiments. , 2020, ACS applied materials & interfaces.

[10]  Kecheng Zhang,et al.  Rotation-induced secondary structure losses and bioactivity changes of bone morphogenetic protein-2 on strontium-substituted hydroxyapatite surfaces , 2020 .

[11]  Jie Liu,et al.  Simulated revelation of the adsorption behaviours of acetylcholinesterase on charged self-assembled monolayers. , 2020, Nanoscale.

[12]  Di Wu,et al.  Recent advances in the construction of functionalized covalent organic frameworks and their applications to sensing. , 2019, Biosensors & bioelectronics.

[13]  M. Menziani,et al.  Multiscale Molecular Dynamics Simulation of Multiple Protein Adsorption on Gold Nanoparticles , 2019, International journal of molecular sciences.

[14]  Xuebo Quan,et al.  Multiscale modeling and simulations of protein adsorption: progresses and perspectives , 2019, Current Opinion in Colloid & Interface Science.

[15]  Li Xu,et al.  Hierarchical ZIF-8 toward Immobilizing Burkholderia cepacia Lipase for Application in Biodiesel Preparation , 2018, International journal of molecular sciences.

[16]  Jie Liu,et al.  Molecular Understanding of Laccase Adsorption on Charged Self-Assembled Monolayers. , 2017, The journal of physical chemistry. B.

[17]  L. Cheong,et al.  Facile fabrication of a stable and recyclable lipase@amine-functionalized ZIF-8 nanoparticles for esters hydrolysis and transesterification , 2017, Journal of Nanoparticle Research.

[18]  Christina T. Lollar,et al.  Enzyme-MOF (metal-organic framework) composites. , 2017, Chemical Society reviews.

[19]  Shiling Yuan,et al.  A molecular dynamics study on the adsorption of a mussel protein on two different films: Polymer film and a SAM , 2017 .

[20]  Hao Meng,et al.  Immobilization of lysozyme proteins on a hierarchical zeolitic imidazolate framework (ZIF-8). , 2017, Dalton transactions.

[21]  C. Sicard,et al.  Metal–organic frameworks: a novel host platform for enzymatic catalysis and detection , 2017 .

[22]  Jie Liu,et al.  Hydrolysis-controlled protein adsorption and antifouling behaviors of mixed charged self-assembled monolayer: A molecular simulation study. , 2016, Acta biomaterialia.

[23]  Shaohua Zhang,et al.  Enzyme-conjugated ZIF-8 particles as efficient and stable Pickering interfacial biocatalysts for biphasic biocatalysis. , 2016, Journal of materials chemistry. B.

[24]  Berk Hess,et al.  GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers , 2015 .

[25]  I. Venditti,et al.  Candida rugosa lipase immobilization on hydrophilic charged gold nanoparticles as promising biocatalysts: Activity and stability investigations. , 2015, Colloids and surfaces. B, Biointerfaces.

[26]  Jie Liu,et al.  Mesoscopic coarse-grained simulations of hydrophobic charge induction chromatography (HCIC) for protein purification , 2015 .

[27]  Jie Liu,et al.  Adsorption of hydrophobin on different self-assembled monolayers: the role of the hydrophobic dipole and the electric dipole. , 2014, Langmuir : the ACS journal of surfaces and colloids.

[28]  David Farrusseng,et al.  Water adsorption in MOFs: fundamentals and applications. , 2014, Chemical Society reviews.

[29]  B. Krajewska,et al.  Enzyme immobilization by adsorption: a review , 2014, Adsorption.

[30]  Chenyi Liao,et al.  Computer simulations of fibronectin adsorption on hydroxyapatite surfaces , 2014 .

[31]  Chenyi Liao,et al.  Multiscale simulations of protein G B1 adsorbed on charged self-assembled monolayers. , 2013, Langmuir : the ACS journal of surfaces and colloids.

[32]  Roger A Sheldon,et al.  Enzyme immobilisation in biocatalysis: why, what and how. , 2013, Chemical Society reviews.

[33]  M. A. Sanromán,et al.  Immobilization of laccase on modified silica: stabilization, thermal inactivation and kinetic behaviour in 1-ethyl-3-methylimidazolium ethylsulfate ionic liquid. , 2013, Bioresource technology.

[34]  M. Carignano,et al.  Molecular dynamics simulation of lysozyme adsorption/desorption on hydrophobic surfaces. , 2012, The journal of physical chemistry. B.

[35]  Fabio Ganazzoli,et al.  Molecular modelling of protein adsorption on the surface of titanium dioxide polymorphs , 2012, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

[36]  Xiuli Dong,et al.  The dynamic behaviours of protein BMP-2 on hydroxyapatite nanoparticles , 2011 .

[37]  Jianwen Jiang,et al.  Zeolitic imidazolate framework-8 as a reverse osmosis membrane for water desalination: insight from molecular simulation. , 2011, The Journal of chemical physics.

[38]  Shaoyi Jiang,et al.  Parallel tempering Monte Carlo simulations of lysozyme orientation on charged surfaces. , 2010, The Journal of chemical physics.

[39]  H. Honarkar,et al.  Applications of biopolymers I: chitosan , 2009 .

[40]  Lucia Gardossi,et al.  Understanding enzyme immobilisation. , 2009, Chemical Society reviews.

[41]  Carsten Kutzner,et al.  GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation. , 2008, Journal of chemical theory and computation.

[42]  Tao Wu,et al.  Molecular simulation of protein adsorption and desorption on hydroxyapatite surfaces. , 2008, Biomaterials.

[43]  Michael O’Keeffe,et al.  Exceptional chemical and thermal stability of zeolitic imidazolate frameworks , 2006, Proceedings of the National Academy of Sciences.

[44]  R. Sheldon,et al.  Immobilization of Penicillin G Acylase: The Key to Optimum Performance , 2005 .

[45]  Shaoyi Jiang,et al.  Molecular Simulation Studies of the Orientation and Conformation of Cytochrome c Adsorbed on Self-Assembled Monolayers , 2004 .

[46]  B. Krajewska.  Application of chitin- and chitosan-based materials for enzyme immobilizations: a review , 2004 .

[47]  A. Kademi,et al.  Lipases and their industrial applications , 2004, Applied biochemistry and biotechnology.

[48]  Shaoyi Jiang,et al.  Orientation of Adsorbed Antibodies on Charged Surfaces by Computer Simulation Based on a United-Residue Model , 2003 .

[49]  Torben Vedel Borchert,et al.  Industrial enzyme applications. , 2002, Current opinion in biotechnology.

[50]  Karl-Erich Jaeger,et al.  Lipases for biotechnology. , 2002, Current opinion in biotechnology.

[51]  H. Ju,et al.  Preparation of porous titania sol-gel matrix for immobilization of horseradish peroxidase by a vapor deposition method. , 2002, Analytical chemistry.

[52]  M. Berkowitz,et al.  Ewald summation for systems with slab geometry , 1999 .

[53]  Berk Hess,et al.  LINCS: A linear constraint solver for molecular simulations , 1997, J. Comput. Chem..

[54]  B Rubin,et al.  Insights into interfacial activation from an open structure of Candida rugosa lipase. , 1994, The Journal of biological chemistry.

[55]  Hoover,et al.  Canonical dynamics: Equilibrium phase-space distributions. , 1985, Physical review. A, General physics.

[56]  W. L. Jorgensen,et al.  Comparison of simple potential functions for simulating liquid water , 1983 .