Molecular modeling and molecular dynamics simulations of GPI 14 in Leishmania major: Insight into the catalytic site for active site directed drug design

Article ID	Journal	Published Year	Pages	File Type
6370436	Journal of Theoretical Biology	2014	10 Pages	PDF

Keywords

LPG EtNP GROningen MAchine for Chemical Simulations Lamarckian genetic algorithm MCMC GROMACS Iterative Threading ASSEmbly Refinement I-TASSER GlcN PPG RMSF LGA GPi NPT iNOS MCL RT-PCR SPC GlcNAc PDB ORF RMSD N-acetyl glucosamine NVT Simple modular architecture research tool Ethanolamine phosphate Potential energy Protein Databank Gene expression Protein structure analysis Pig Docking Particle mesh Ewald Monte Carlo Cutaneous leishmaniasis inducible nitric oxide synthase Simple Point Charge endoplasmic reticulum PME transmembrane Phosphatidyl inositol Phylogeny open reading frame Visceral leishmaniasis mucocutaneous leishmaniasis Lipophosphoglycan Mannose Man Monte Carlo Markov Chain root mean square deviation root mean square fluctuation Nitric oxide neighbour joining SMART reverse transcriptase polymerase chain reaction PROSA Molecular dynamic glucosamine Glycoinositolphospholipids glycosylphosphatidylinositol

Related Topics

Life Sciences Agricultural and Biological Sciences Agricultural and Biological Sciences (General)

Molecular modeling and molecular dynamics simulations of GPI 14 in Leishmania major: Insight into the catalytic site for active site directed drug design

Authors

Sonali Shinde, Milsee Mol, Virashree Jamdar, Shailza Singh,