TY  - GEN
AU  - Chaitanya,M
AU  - Babajan,B
AU  - Anuradha,C M
AU  - Naveen,M
AU  - Rajasekhar,C
AU  - Madhusudana,P
AU  - Kumar,Chitta Suresh
TI  - 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
SN  - 0948-5023
PY  - 2010///1123
KW  - Adenosine Diphosphate
KW  - chemistry
KW  - Amino Acid Sequence
KW  - Amino Acids
KW  - Aspartate Kinase
KW  - antagonists & inhibitors
KW  - Biocatalysis
KW  - drug effects
KW  - Crystallography, X-Ray
KW  - Feedback, Physiological
KW  - Ligands
KW  - Molecular Dynamics Simulation
KW  - Molecular Sequence Data
KW  - Mycobacterium tuberculosis
KW  - Protein Kinase Inhibitors
KW  - pharmacology
KW  - Protein Structure, Secondary
KW  - Protein Structure, Tertiary
KW  - Reproducibility of Results
KW  - Sequence Alignment
KW  - Sequence Homology, Amino Acid
KW  - Structural Homology, Protein
KW  - Substrate Specificity
KW  - Thermodynamics
N1  - Publication Type: Journal Article; Research Support, Non-U.S. Gov't
UR  - https://doi.org/10.1007/s00894-010-0653-4
ER  -