Thermodynamic and Structural Characterization of Bulk Organic Matter in Chinese Silurian Shale: Experimental and Molecular Modeling Studies

2017 ◽  
Vol 31 (5) ◽  
pp. 4851-4865 ◽  
Author(s):  
Liang Huang ◽  
Zhengfu Ning ◽  
Qing Wang ◽  
Rongrong Qi ◽  
Jing Li ◽  
...  
Keyword(s):  
Organic Matter ◽  
Molecular Modeling ◽  
Structural Characterization ◽  
Modeling Studies ◽  
Molecular Modeling Studies ◽  
Bulk Organic Matter

Synthesis and structural characterization of new benzylidene glycosides, cytotoxicity against cancer cell lines and molecular modeling studies

2021 ◽  
Vol 1233 ◽  
pp. 130186
Author(s):  
Vinícius Augusto Campos Péret ◽  
Adriana Cotta Cardoso Reis ◽  
Naiara Chaves Silva ◽  
Amanda Latercia Tranches Dias ◽  
Diogo Teixeira Carvalho ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Cell Lines ◽  
Cancer Cell ◽  
Structural Characterization ◽  
Cancer Cell Lines ◽  
Modeling Studies ◽  
Molecular Modeling Studies

Potent cyclometallated Pd(ii) antitumor complexes bearing α-amino acids: synthesis, structural characterization, DNA/BSA binding, cytotoxicity and molecular dynamics simulation

2020 ◽  
Vol 49 (42) ◽  
pp. 14891-14907
Author(s):  
Sedigheh Abedanzadeh ◽  
Kazem Karami ◽  
Mostafa Rahimi ◽  
Masoud Edalati ◽  
Mozhgan Abedanzadeh ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Amino Acids ◽  
Molecular Modeling ◽  
Molecular Dynamics Simulation ◽  
Structural Characterization ◽  
Dynamics Simulation ◽  
Bsa Binding ◽  
Modeling Studies ◽  
Molecular Modeling Studies ◽  
Antitumor Complexes

Synthesis, characterization, spectroscopic, biological, and molecular modeling studies on the DNA/BSA binding interactions of new cyclometallated Pd(ii) complexes bearing α-amino acids were investigated.

Characterization of a unique tomaymycin-d(CICGAATTCICG)2 adduct containing two drug molecules per duplex by NMR, fluorescence, and molecular modeling studies

Biochemistry ◽  
1990 ◽  
Vol 29 (9) ◽  
pp. 2387-2403 ◽  
Author(s):  
F. Leslie Boyd ◽  
Diana Stewart ◽  
William A. Remers ◽  
Mary D. Barkley ◽  
Laurence H. Hurley
Keyword(s):  
Molecular Modeling ◽  
Drug Molecules ◽  
Modeling Studies ◽  
Molecular Modeling Studies

Characterization of hemoglobin Würzburg (α2ß2 4(A1)Thr→Asn), a new electrophoretically silent variant, by mass spectrometry and molecular modeling studies

2006 ◽  
Vol 1115 (1-2) ◽  
pp. 118-124 ◽  
Author(s):  
Emmanuel Bissé ◽  
Nathalie Zorn ◽  
Stéphanie Boussert ◽  
Thomas Epting ◽  
Alain Van Dorsselaer ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Molecular Modeling ◽  
Modeling Studies ◽  
Molecular Modeling Studies
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