Synthesis and molecular modelling studies of resorcin[4]arene-capped porphyrinsElectronic supplementary information (ESI) available: Benzene-d6 shifts of compound 7 compared with those of component units, details on the new parameters added to heme29 and cartesian coordinate files of lowest-energy conformations of 3, 5 and 7 (benzene inside) on the molecular modelling studies (pdb and arc files). See http://www.rsc.org/suppdata/ob/b3/b303741j/See Ref. 1.

2003 ◽  
Vol 1 (17) ◽  
pp. 3131 ◽  
Author(s):  
Bruno Botta ◽  
Paola Ricciardi ◽  
Carlo Galeffi ◽  
Maurizio Botta ◽  
Andrea Tafi ◽  
...  
Keyword(s):  
Molecular Modelling ◽  
Supplementary Information ◽  
Molecular Modelling Studies ◽  
Modelling Studies ◽  
Cartesian Coordinate

Recreational drugs 25I-NBOH and 25I-NBOMe bind to both Sudlow's sites I and II of Human Serum Albumin (HSA): Biophysical and molecular modeling studies

2021 ◽  
Author(s):  
Wellington Alves de Barros ◽  
Marina de Magalhães Silva ◽  
Maria Dayanne de Araújo Dantas ◽  
Josue Santos ◽  
Isis Figueiredo ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Molecular Modelling ◽  
Recreational Drugs ◽  
Modeling Studies ◽  
Molecular Modelling Studies ◽  
Modelling Studies ◽  
Molecular Modeling Studies

Experimental, biophysical, and molecular modelling studies between 25I-NBOH and 25I-NBOMe with human serum albumin (HSA) have indicated that these recreational drugs simultaneously bind to site I and II of the...

Discovery of potent anticonvulsant ligands as dual NMDA and AMPA receptors antagonists by molecular modelling studies

2011 ◽  
Vol 21 (11) ◽  
pp. 3465-3484 ◽  
Author(s):  
Shailesh V. Jain ◽  
Kamlendra S. Bhadoriya ◽  
Sanjaykumar B. Bari ◽  
Nitendra K. Sahu ◽  
Manjunath Ghate
Keyword(s):  
Molecular Modelling ◽  
Ampa Receptors ◽  
Molecular Modelling Studies ◽  
Modelling Studies

Molecular modelling studies of side-chain rotation in substituted triazine rings

2002 ◽  
Vol 602-603 ◽  
pp. 59-70 ◽  
Author(s):  
Helen E. Birkett ◽  
Julian C. Cherryman ◽  
A. Margaret Chippendale ◽  
Paul Hazendonk ◽  
Robin K. Harris
Keyword(s):  
Molecular Modelling ◽  
Side Chain ◽  
Molecular Modelling Studies ◽  
Modelling Studies

scholarly journals Caffeoylquinic acids from antiplasmodial active extract of Xanthium cavanillesii fruits and their molecular modelling studies

2016 ◽  
Vol 31 (6) ◽  
pp. 729-733 ◽  
Author(s):  
Alex Gutterres Taranto ◽  
Sônia Carine Cova Costa ◽  
Franco Henrique Andrade Leite ◽  
Matheus Santos de Sá ◽  
Milena Botelho Pereira Soares ◽  
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Keyword(s):  
Molecular Modelling ◽  
Caffeoylquinic Acids ◽  
Molecular Modelling Studies ◽  
Modelling Studies
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