Effects of Metal Ions on Aβ42 Peptide Conformations from Molecular Simulation Studies

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.9b00098 ◽

2019 ◽

Vol 59 (6) ◽

pp. 2879-2893 ◽

Author(s):

Prabir Khatua ◽

Souvik Mondal ◽

Sanjoy Bandyopadhyay

Keyword(s):

Molecular Simulation ◽

Simulation Studies ◽

Peptide Conformations ◽

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S09A5 Single-molecule experiments of F1-ATPase correlating with the crystal structures and molecular simulation(Mechanism of F_1-ATPase Molecular Motor-A Cross Talk among Single Molecule, Structural Biology, and Molecular Simulation Studies-)

Seibutsu Butsuri ◽

10.2142/biophys.47.s13_4 ◽

2007 ◽

Vol 47 (supplement) ◽

pp. S13

Author(s):

Hiroyuki Noji

Keyword(s):

Crystal Structures ◽

Molecular Simulation ◽

Structural Biology ◽

Single Molecule ◽

Molecular Motor ◽

Simulation Studies ◽

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Design, Synthesis, and Molecular Simulation Studies of N-phenyltetrahydroquinazolinones as Protoporphyrinogen IX Oxidase Inhibitors

Bioorganic & Medicinal Chemistry ◽

10.1016/j.bmc.2021.116165 ◽

2021 ◽

pp. 116165

Author(s):

Lu Liang ◽

Shuyi Yu ◽

Qian Li ◽

Xia Wang ◽

Dawei Wang ◽

...

Keyword(s):

Molecular Simulation ◽

Simulation Studies ◽

Design Synthesis

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Molecular simulation studies of the interactions between the human/pangolin/cat/bat ACE2 and the receptor binding domain of the SARS-CoV-2 spike protein

Biochimie ◽

10.1016/j.biochi.2021.05.001 ◽

2021 ◽

Author(s):

Shaojie Ma ◽

Hui Li ◽

Jun Yang ◽

Kunqian Yu

Keyword(s):

Molecular Simulation ◽

Receptor Binding ◽

Binding Domain ◽

Spike Protein ◽

Receptor Binding Domain ◽

Simulation Studies

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Molecular simulation studies in supercritical fluid and related regions

Fluid Phase Equilibria ◽

10.1016/s0378-3812(97)00260-4 ◽

1998 ◽

Vol 144 (1-2) ◽

pp. 217-224 ◽

Author(s):

Koichiro Nakanishi

Keyword(s):

Molecular Simulation ◽

Supercritical Fluid ◽

Simulation Studies

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Experimental and Molecular Simulation Research on the Effect of Metal Ions on the Stability of SDS Foam

Energy & Fuels ◽

10.1021/acs.energyfuels.1c03249 ◽

2021 ◽

Author(s):

Zhiyu Dong ◽

Shuo Liu ◽

Xin Nie ◽

Yulong Zhang ◽

Kaili Dong ◽

...

Keyword(s):

Molecular Simulation ◽

Simulation Research ◽

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Molecular simulation studies on refrigerants past – present – future

Fluid Phase Equilibria ◽

10.1016/j.fluid.2018.12.022 ◽

2019 ◽

Vol 485 ◽

pp. 190-198 ◽

Author(s):

Gabriele Raabe

Keyword(s):

Molecular Simulation ◽

Simulation Studies

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Molecular simulation studies of a selenium-containing scFv catalytic antibody that mimics glutathione peroxidase

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics ◽

10.1016/j.bbapap.2004.09.022 ◽

2005 ◽

Vol 1747 (1) ◽

pp. 27-34 ◽

Author(s):

Yuan Zhang ◽

Ze-Sheng Li ◽

Miao Sun ◽

Qing-Chuan Zheng ◽

Chia-Chung Sun

Keyword(s):

Glutathione Peroxidase ◽

Molecular Simulation ◽

Catalytic Antibody ◽

Simulation Studies

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Molecular Simulation Studies of Fast Vibrational Modes

International Conference of Computational Methods in Sciences and Engineering 2004 (ICCMSE 2004) ◽

10.1201/9780429081385-188 ◽

2019 ◽

pp. 756-759

Author(s):

D. Janežič ◽

M. Penca

Keyword(s):

Molecular Simulation ◽

Vibrational Modes ◽

Simulation Studies

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Towards an atomistic understanding of apatite–collagen biomaterials: linking molecular simulation studies of complex-, crystal- and composite-formation to experimental findings

Journal of Materials Science ◽

10.1007/s10853-007-1586-x ◽

2007 ◽

Vol 42 (21) ◽

pp. 8966-8973 ◽

Author(s):

Dirk Zahn ◽

Oliver Hochrein ◽

Agnieszka Kawska ◽

Jürgen Brickmann ◽

Rüdiger Kniep

Keyword(s):

Molecular Simulation ◽

Simulation Studies ◽

Composite Formation ◽

Experimental Findings ◽

Complex Crystal

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Molecular simulation of adsorption properties of thiol-functionalized titanium dioxide (TiO2) nanostructure for heavy metal ions removal from aqueous solution

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.118281 ◽

2021 ◽

pp. 118281

Author(s):

Beibei Chen ◽

Lin Li ◽

Lei Liu ◽

Jianxin Cao

Keyword(s):

Aqueous Solution ◽

Heavy Metal ◽

Titanium Dioxide ◽

Molecular Simulation ◽

Heavy Metal Ions ◽

Adsorption Properties ◽

Heavy Metal Ions Removal ◽

Tio2 Nanostructure ◽

Metal Ions Removal

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