Myosin B of Plasmodium falciparum (PfMyoB): in silico prediction of its three-dimensional structure and its possible interaction with MTIP

2017 ◽  
Vol 116 (4) ◽  
pp. 1373-1382 ◽  
Author(s):  
Paula C. Hernández ◽  
Liliana Morales ◽  
Isabel C Castellanos ◽  
Moisés Wasserman ◽  
Jacqueline Chaparro-Olaya
Keyword(s):  
Plasmodium Falciparum ◽  
In Silico ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
In Silico Prediction ◽  
Three Dimensional Structure ◽  
Myosin B

scholarly journals Research paper In silico prediction and characterization of three-dimensional structure of Actin-1 of Arabidopsis thaliana

2013 ◽  
Vol 4 ◽  
pp. 432-443
Author(s):  
Mousumi Sahu ◽  
Budheswar Dehury ◽  
Ranjan Sarmah ◽  
Smita Sahoo ◽  
Jagajjit Sahu ◽  
...  
Keyword(s):  
Arabidopsis Thaliana ◽  
In Silico ◽  
Three Dimensional ◽  
Research Paper ◽  
Dimensional Structure ◽  
In Silico Prediction ◽  
Three Dimensional Structure

The three-dimensional structure of a Plasmodium falciparum cyclophilin in complex with the potent anti-malarial cyclosporin A

2000 ◽  
Vol 298 (1) ◽  
pp. 123-133 ◽  
Author(s):  
Mark R. Peterson ◽  
David R. Hall ◽  
Matthew Berriman ◽  
Jonathan A. Nunes ◽  
Gordon A. Leonard ◽  
...  
Keyword(s):  
Plasmodium Falciparum ◽  
Cyclosporin A ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Three Dimensional Structure

scholarly journals Metal Binding Sites in Plant Soluble Inorganic Pyrophosphatases. An Example of the Use of ROSETTA Design and Hidden Markov Models to Guide the Homology Modeling of Proteins

2017 ◽  
Vol 56 (1) ◽  
Author(s):  
Luis Rosales-León Rosales-León ◽  
Eric Edmundo Hernández-Domínguez ◽  
Samantha Gaytán-Mondragón ◽  
Rogelio Rodríguez-Sotres
Keyword(s):  
Homology Modeling ◽  
Metal Binding ◽  
Binding Sites ◽  
In Silico ◽  
Markov Models ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Magnesium Ions ◽  
Three Dimensional Structure ◽  
Metal Binding Sites

In contrast to their counterparts in bacteria and animals the soluble inorganic pyrophosphatases from plant cells are active as monomers. The isoforms 1 and 4 from <em>Arabidopsis thaliana</em> have been characterized with more detail, but their three-dimensional structure is unavailable. Here, a recently published protocol (ROSETTA design-HMMer), is used to guide well-known techniques for homology-modeling, in the production of reliable models for the three-dimensional structure of these two arabidopsis isoforms. Their interaction with magnesium ions and pyrophosphate is analyzed <em>in silico</em>in silico.

scholarly journals STUDI MOLECULAR DOCKING SENYAWA GOLONGAN FLAVONOL SEBAGAI ANTIBAKTERI

2018 ◽  
Vol 1 (2) ◽  
pp. 20-27
Author(s):  
Isna Wardaniati ◽  
Muhammad Azhari Herli
Keyword(s):  
Molecular Docking ◽  
Binding Energy ◽  
Binding Affinity ◽  
Bioactive Compounds ◽  
In Silico ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Receptor Interactions

In this paper we studied the bioactive compounds of Flavonol-D-alanil D-alanin dekarboksipeptidase receptor interactions In silico. First, prepared three dimensional structure of D-alanil D-alanin dekarboksipeptidase as receptor. Preparation of fourth bioactive compounds of flavonol which will be as ligands, klokasilin and D-alanil D-alanin as a comparison. The fourth bioactive compounds of flavonol, klokasilin and D-alanil D-alanin were docked with D-alanil D-alanin dekarboksipeptidase until energy values were obtained. The fourth bioactive compounds of flavonol had lesser binding energy values than D-alanil D-alanin, Quercitrine and rutin also predicted to have greater binding energy and binding affinity than klokasilin (antibiotic) and D-alanil D-alanin (nature ligand).

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