Human serum albumin interactions with C60 fullerene studied by spectroscopy, small-angle neutron scattering, and molecular dynamics simulations

Journal of Nanoparticle Research ◽

10.1007/s11051-013-1769-0 ◽

2013 ◽

Vol 15 (7) ◽

Author(s):

Song Li ◽

Xiongce Zhao ◽

Yiming Mo ◽

Peter T. Cummings ◽

William T. Heller

Keyword(s):

Molecular Dynamics ◽

Human Serum Albumin ◽

Serum Albumin ◽

Neutron Scattering ◽

Human Serum ◽

Molecular Dynamics Simulations ◽

Small Angle ◽

Small Angle Neutron Scattering ◽

C60 Fullerene ◽

Dynamics Simulations

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Structure and Interactions in Perfluorooctanoate Micellar Solutions Revealed by Small-Angle Neutron Scattering and Molecular Dynamics Simulations Studies: Effect of Urea

Langmuir ◽

10.1021/acs.langmuir.1c00433 ◽

2021 ◽

Vol 37 (17) ◽

pp. 5339-5347

Author(s):

Samhitha Kancharla ◽

Dengpan Dong ◽

Dmitry Bedrov ◽

Marina Tsianou ◽

Paschalis Alexandridis

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Molecular Dynamics Simulations ◽

Small Angle ◽

Small Angle Neutron Scattering ◽

Micellar Solutions ◽

Dynamics Simulations

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Conformations and Structures of Poly(oxyethylene) Melts from Molecular Dynamics Simulations and Small-Angle Neutron Scattering Experiments

Macromolecules ◽

10.1021/ma951621t ◽

1996 ◽

Vol 29 (10) ◽

pp. 3462-3469 ◽

Author(s):

Grant D. Smith ◽

Do Y. Yoon ◽

Richard L. Jaffe ◽

Ralph H. Colby ◽

Ramanan Krishnamoorti ◽

...

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Molecular Dynamics Simulations ◽

Small Angle ◽

Small Angle Neutron Scattering ◽

Dynamics Simulations

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Molecular Dynamics Simulations of Human Serum Albumin and Role of Disulfide Bonds

The Journal of Physical Chemistry B ◽

10.1021/jp402994r ◽

2013 ◽

Vol 117 (40) ◽

pp. 11895-11905 ◽

Author(s):

Maria Monica Castellanos ◽

Coray M. Colina

Keyword(s):

Molecular Dynamics ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Molecular Dynamics Simulations ◽

Disulfide Bonds ◽

Dynamics Simulations

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Identification of Glucose-Binding Pockets in Human Serum Albumin Using Support Vector Machine and Molecular Dynamics Simulations

IEEE/ACM Transactions on Computational Biology and Bioinformatics ◽

10.1109/tcbb.2015.2415806 ◽

2016 ◽

Vol 13 (1) ◽

pp. 148-157 ◽

Author(s):

Preethi Ranganarayanan ◽

Narmadha Thanigesan ◽

Vivek Ananth ◽

Valadi K. Jayaraman ◽

Vigneshwar Ramakrishnan

Keyword(s):

Molecular Dynamics ◽

Support Vector Machine ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Molecular Dynamics Simulations ◽

Support Vector ◽

Glucose Binding ◽

Binding Pockets ◽

Dynamics Simulations

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Hydrogen bonding in protic and aprotic amide mixtures: Low-frequency Raman spectroscopy, small-angle neutron scattering, and molecular dynamics simulations

Journal of Molecular Liquids ◽

10.1016/j.molliq.2017.05.017 ◽

2017 ◽

Vol 238 ◽

pp. 518-522 ◽

Author(s):

Kenta Fujii ◽

Mari Yoshitake ◽

Hikari Watanabe ◽

Toshiyuki Takamuku ◽

Yasuhiro Umebayashi

Keyword(s):

Molecular Dynamics ◽

Raman Spectroscopy ◽

Hydrogen Bonding ◽

Neutron Scattering ◽

Molecular Dynamics Simulations ◽

Small Angle ◽

Small Angle Neutron Scattering ◽

Low Frequency ◽

Dynamics Simulations

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Interparticle interactions and structure in nonideal solutions of human serum albumin studied by small-angle neutron scattering and Monte Carlo simulation

Biophysical Chemistry ◽

10.1016/0301-4622(94)00089-1 ◽

1994 ◽

Vol 52 (2) ◽

pp. 131-138 ◽

Author(s):

Bo Sjöberg ◽

Kell Mortensen

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Human Serum Albumin ◽

Serum Albumin ◽

Neutron Scattering ◽

Human Serum ◽

Small Angle ◽

Small Angle Neutron Scattering ◽

Interparticle Interactions

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Destabilization of Human Serum Albumin by Ionic Liquids Studied Using Enhanced Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.6b09410 ◽

2016 ◽

Vol 120 (47) ◽

pp. 12079-12087 ◽

Author(s):

Vance W. Jaeger ◽

Jim Pfaendtner

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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Stability of human serum albumin structure upon toxin uptake explored by small angle neutron scattering

Polymer ◽

10.1016/j.polymer.2018.02.060 ◽

2018 ◽

Vol 141 ◽

pp. 175-183 ◽

Author(s):

Shun Yu ◽

Ben Kent ◽

Charl J. Jafta ◽

Albrecht Petzold ◽

Aurel Radulescu ◽

...

Keyword(s):

Human Serum Albumin ◽

Serum Albumin ◽

Neutron Scattering ◽

Human Serum ◽

Small Angle ◽

Small Angle Neutron Scattering ◽

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Combined docking, molecular dynamics simulations and spectroscopic studies for the rational design of a dipeptide ligand for affinity chromatography separation of human serum albumin

Journal of Molecular Modeling ◽

10.1007/s00894-014-2446-7 ◽

2014 ◽

Vol 20 (10) ◽

Author(s):

Elham Aghaee ◽

Jahan B. Ghasemi ◽

Firouzeh Manouchehri ◽

Saeed Balalaie

Keyword(s):

Molecular Dynamics ◽

Human Serum Albumin ◽

Serum Albumin ◽

Affinity Chromatography ◽

Human Serum ◽

Molecular Dynamics Simulations ◽

Rational Design ◽

Spectroscopic Studies ◽

Dynamics Simulations

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Resolving the Organization of CO2 Molecules Confined in Silica Nanopores Using In-Situ Small-Angle Neutron Scattering and Molecular Dynamics Simulations

Environmental Science Nano ◽

10.1039/d0en01282c ◽

2021 ◽

Author(s):

Sohaib Mohammed ◽

Meishen Liu ◽

Greeshma Gadikota

Keyword(s):

Molecular Dynamics ◽

Neutron Scattering ◽

Molecular Dynamics Simulations ◽

Small Angle ◽

Small Angle Neutron Scattering ◽

Nanoporous Materials ◽

Dynamics Simulations

Determining the organization of CO2 molecules confined in nanoporous environments is essential for unlocking our understanding of the fate of CO2 stored in nanoporous materials. In this study, we investigate...

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