scholarly journals Structure, Dynamics, and Interaction of Mycobacterium tuberculosis (Mtb) DprE1 and DprE2 Examined by Molecular Modeling, Simulation, and Electrostatic Studies

PLoS ONE ◽  
2015 ◽  
Vol 10 (3) ◽  
pp. e0119771 ◽  
Author(s):  
Isha Bhutani ◽  
Saurabh Loharch ◽  
Pawan Gupta ◽  
Rethi Madathil ◽  
Raman Parkesh
Keyword(s):  
Mycobacterium Tuberculosis ◽  
Molecular Modeling ◽  
Modeling Simulation ◽  
Structure Dynamics

scholarly journals Chemometrics and Molecular Modeling applied to coumarin derivatives as potential multitarget inhibitors in Mycobacterium tuberculosis

2018 ◽  
Author(s):  
Jéssika de Oliveira Viana ◽  
Mayara Santos Maia ◽  
Gabriela Cristina Soares Rodrigues ◽  
Marcus Tullius Scotti ◽  
Luciana Scotti
Keyword(s):  
Mycobacterium Tuberculosis ◽  
Molecular Modeling ◽  
Coumarin Derivatives

Molecular modeling and dynamics studies of cytidylate kinase from Mycobacterium tuberculosis H37Rv

2008 ◽  
Vol 14 (5) ◽  
pp. 427-434 ◽  
Author(s):  
Rafael Andrade Caceres ◽  
Luís Fernando Saraiva Macedo Timmers ◽  
Ana Luiza Vivan ◽  
Cristopher Zandoná Schneider ◽  
Luiz Augusto Basso ◽  
...  
Keyword(s):  
Mycobacterium Tuberculosis ◽  
Molecular Modeling ◽  
Tuberculosis H37rv ◽  
Mycobacterium Tuberculosis H37rv ◽  
Cytidylate Kinase

The Dipeptide H-Trp-Glu-OH Shows Highly Antagonistic Activity against PPARγ: Bioassay with Molecular Modeling Simulation

ChemBioChem ◽  
2005 ◽  
Vol 7 (1) ◽  
pp. 74-82 ◽  
Author(s):  
Fei Ye ◽  
Zhen-Shan Zhang ◽  
Hai-Bin Luo ◽  
Jian-Hua Shen ◽  
Kai-Xian Chen ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Antagonistic Activity ◽  
Modeling Simulation

Synthesis, Biological Evaluation, And Molecular Modeling of Chalcone Derivatives As Potent Inhibitors of Mycobacterium tuberculosis Protein Tyrosine Phosphatases (PtpA and PtpB)

2011 ◽  
Vol 55 (1) ◽  
pp. 390-402 ◽  
Author(s):  
Louise Domeneghini Chiaradia ◽  
Priscila Graziela Alves Martins ◽  
Marlon Norberto Sechini Cordeiro ◽  
Rafael Victorio Carvalho Guido ◽  
Gabriela Ecco ◽  
...  
Keyword(s):  
Mycobacterium Tuberculosis ◽  
Molecular Modeling ◽  
Protein Tyrosine Phosphatases ◽  
Biological Evaluation ◽  
Tyrosine Phosphatases ◽  
Protein Tyrosine ◽  
Chalcone Derivatives

Co-primary thermolysis molecular modeling simulation of lignin and subbituminous coal via a reactive coarse-grained simplification

2012 ◽  
Vol 95 ◽  
pp. 101-111 ◽  
Author(s):  
Josep O. Pou ◽  
Yesica E. Alvarez ◽  
Justin K. Watson ◽  
Jonathan P. Mathews ◽  
Sarma Pisupati
Keyword(s):  
Molecular Modeling ◽  
Coarse Grained ◽  
Modeling Simulation
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