On the GABAA receptor: A molecular modeling approach

1989 ◽  
Vol 23 (2) ◽  
pp. 129-135 ◽  
Author(s):  
M. H. Aprison ◽  
K. B. Lipkowitz
Keyword(s):  
Molecular Modeling ◽  
Gabaa Receptor ◽  
Modeling Approach

Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modeling Approach

2021 ◽  
Vol 61 (9) ◽  
pp. 4266-4279 ◽  
Author(s):  
Kuo Hao Lee ◽  
Andrew D. Fant ◽  
Jiqing Guo ◽  
Andy Guan ◽  
Joslyn Jung ◽  
...  
Keyword(s):  
Machine Learning ◽  
Molecular Modeling ◽  
Modeling Approach

Study of surface heterogeneity and nitrogen functionalizing of biochars: Molecular modeling approach

Carbon ◽  
2021 ◽  
Vol 171 ◽  
pp. 161-170
Author(s):  
Hanieh Bamdad ◽  
Sadegh Papari ◽  
Stephanie MacQuarrie ◽  
Kelly Hawboldt
Keyword(s):  
Molecular Modeling ◽  
Surface Heterogeneity ◽  
Modeling Approach

scholarly journals COVID-19: Vaccine Delivery System, Drug Repurposing and Application of Molecular Modeling Approach

2021 ◽  
Vol Volume 15 ◽  
pp. 3313-3330
Author(s):  
Soha R Abd El Hadi ◽  
Esmat E Zien El-Deen ◽  
Mostafa M Bahaa ◽  
Abdelfattah A Sadakah ◽  
Heba A Yassin
Keyword(s):  
Molecular Modeling ◽  
Delivery System ◽  
Vaccine Delivery ◽  
Drug Repurposing ◽  
Vaccine Delivery System ◽  
Modeling Approach

scholarly journals A critical study on the interactions of hesperitin with human hemoglobin: Fluorescence spectroscopic and molecular modeling approach

2012 ◽  
Vol 132 (6) ◽  
pp. 1522-1528 ◽  
Author(s):  
Sandipan Chakraborty ◽  
Sudip Chaudhuri ◽  
Biswapathik Pahari ◽  
Jasmine Taylor ◽  
Pradeep K. Sengupta ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Critical Study ◽  
Human Hemoglobin ◽  
Modeling Approach

Competitive Inhibition of Quercetin and Apigenin at the ATP Binding site of D-Alanine-D-Alanine Ligase of Helicobacter pylori – A Molecular Modeling Approach

2019 ◽  
Vol 7 (5) ◽  
pp. 340-348 ◽  
Author(s):  
Salam Pradeep Singh ◽  
Chandrabose Selvaraj ◽  
Bolin Kumar Knowar ◽  
Sanjeev Kumar Singh ◽  
Chingakham Brajakishor Singh ◽  
...  
Keyword(s):  
Helicobacter Pylori ◽  
Molecular Modeling ◽  
Binding Site ◽  
Competitive Inhibition ◽  
Atp Binding ◽  
Atp Binding Site ◽  
Modeling Approach

A New Molecular Modeling Approach To Predict Concomitant Nucleation of Polymorphs

2002 ◽  
Vol 2 (5) ◽  
pp. 351-356 ◽  
Author(s):  
J. H. ter Horst ◽  
H. J. M. Kramer ◽  
P. J. Jansens
Keyword(s):  
Molecular Modeling ◽  
Modeling Approach
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