Exploring the molecular basis for selective binding of Mycobacterium tuberculosis Asp kinase toward its natural substrates and feedback inhibitors: a docking and molecular dynamics study.

Chaitanya, M

Exploring the molecular basis for selective binding of Mycobacterium tuberculosis Asp kinase toward its natural substrates and feedback inhibitors: a docking and molecular dynamics study. [electronic resource] - Journal of molecular modeling Aug 2010 - 1357-67 p. digital

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

0948-5023

10.1007/s00894-010-0653-4 doi


Adenosine Diphosphate--chemistry
Amino Acid Sequence
Amino Acids--chemistry
Aspartate Kinase--antagonists & inhibitors
Biocatalysis--drug effects
Crystallography, X-Ray
Feedback, Physiological--drug effects
Ligands
Molecular Dynamics Simulation
Molecular Sequence Data
Mycobacterium tuberculosis--drug effects
Protein Kinase Inhibitors--pharmacology
Protein Structure, Secondary
Protein Structure, Tertiary
Reproducibility of Results
Sequence Alignment
Sequence Homology, Amino Acid
Structural Homology, Protein
Substrate Specificity--drug effects
Thermodynamics