Aggregation of the hairy rod conjugated polyelectrolyte poly{1,4-phenylene-[9,9-bis(4-phenoxybutylsulfonate)]fluorene-2,7-diyl} in aqueous solution: an experimental and molecular modelling study

2008 ◽  
Vol 10 (30) ◽  
pp. 4420 ◽  
Author(s):  
Hugh D. Burrows ◽  
Sofia M. Fonseca ◽  
Claudia L. Silva ◽  
Alberto A. C. C. Pais ◽  
María J. Tapia ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Molecular Modelling ◽  
Conjugated Polyelectrolyte ◽  
Modelling Study

scholarly journals In vitro anticancer potentiality and molecular modelling study of novel amino acid derivatives based on N1,N3-bis-(1-hydrazinyl-1-oxopropan-2-yl) isophthalamide

2019 ◽  
Vol 34 (1) ◽  
pp. 1247-1258 ◽  
Author(s):  
Asmaa F. Kassem ◽  
Gaber O. Moustafa ◽  
Eman S. Nossier ◽  
Hemat S. Khalaf ◽  
Marwa M. Mounier ◽  
...  
Keyword(s):  
Amino Acid ◽  
Molecular Modelling ◽  
Amino Acid Derivatives ◽  
Modelling Study

Electrochemistry of Ce(IV)/Ce(III) redox couples in mixed solutions for aqueous flow battery: Experimental and molecular modelling study

2021 ◽  
Vol 368 ◽  
pp. 137601
Author(s):  
Wolfgang Schmickler ◽  
Renat R. Nazmutdinov ◽  
Qiuhong Wang ◽  
Walid A. Daoud
Keyword(s):  
Molecular Modelling ◽  
Flow Battery ◽  
Redox Couples ◽  
Mixed Solutions ◽  
Aqueous Flow ◽  
Modelling Study

scholarly journals Molecular Modelling Study of the PPARγ Receptor in Relation to the Mode of Action/Adverse Outcome Pathway Framework for Liver Steatosis

2014 ◽  
Vol 15 (5) ◽  
pp. 7651-7666 ◽  
Author(s):  
Ivanka Tsakovska ◽  
Merilin Al Sharif ◽  
Petko Alov ◽  
Antonia Diukendjieva ◽  
Elena Fioravanzo ◽  
...  
Keyword(s):  
Molecular Modelling ◽  
Mode Of Action ◽  
Adverse Outcome ◽  
Liver Steatosis ◽  
Adverse Outcome Pathway ◽  
Modelling Study

Li-doped fullerene structures: a molecular modelling study

2005 ◽  
Vol 16 (4) ◽  
pp. 488-494 ◽  
Author(s):  
Dan V Nicolau
Keyword(s):  
Molecular Modelling ◽  
Modelling Study

Synthesis, Molecular Modelling Study of the Methaqualone Analogues as Anti-Convulsant Agent with Improved Cognition Activity and Minimized Neurotoxicity

2021 ◽  
pp. 131972
Author(s):  
Iqrar Ahmad ◽  
Sazedur Rahman Akand ◽  
Matin Shaikh ◽  
Rahul Pawara ◽  
S.N. Manjula ◽  
...  
Keyword(s):  
Molecular Modelling ◽  
Modelling Study

Development of novel indolin-2-one derivative incorporating thiazole moiety as DHFR and quorum sensing inhibitors: synthesis, antimicrobial, and antibiofilm activities with molecular modelling study

2021 ◽  
pp. 105571
Author(s):  
Abdullah Y. Alzahrani ◽  
Yousry A. Ammar ◽  
Mohammed Abu-Elghait ◽  
Mohamed A. Salem ◽  
Mohammed A. Assiri ◽  
...  
Keyword(s):  
Quorum Sensing ◽  
Molecular Modelling ◽  
Quorum Sensing Inhibitors ◽  
Modelling Study

Amber force field implementation, molecular modelling study, synthesis and MMP-1/MMP-2 inhibition profile of (R)- and (S)-N-hydroxy-2-(N-isopropoxybiphenyl-4-ylsulfonamido)-3-methylbutanamides

2006 ◽  
Vol 14 (12) ◽  
pp. 4260-4276 ◽  
Author(s):  
Tiziano Tuccinardi ◽  
Adriano Martinelli ◽  
Elisa Nuti ◽  
Paolo Carelli ◽  
Federica Balzano ◽  
...  
Keyword(s):  
Force Field ◽  
Molecular Modelling ◽  
Amber Force Field ◽  
Modelling Study

Conformations in poly(ethylene terephthalate): a molecular modelling study

Polymer ◽  
1994 ◽  
Vol 35 (20) ◽  
pp. 4259-4262 ◽  
Author(s):  
T.M Nicholson ◽  
G.R Davies ◽  
I.M Ward
Keyword(s):  
Molecular Modelling ◽  
Ethylene Terephthalate ◽  
Poly Ethylene Terephthalate ◽  
Poly Ethylene ◽  
Modelling Study
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