Electrostatics-based computational methods for understanding polymerase mechanism and for protein function annotation
Knowledge of the active site is the first step to understanding the function of an enzyme. My research encompassed the use of electrostatics-based computational functional site prediction methods, Theoretical Microscopic Anomalous Titration Curve Shapes (THEMATICS) and Partial Order Optimum Likeliho...
| Published: |
|
|---|---|
| Online Access: | http://hdl.handle.net/2047/d20005099 |
| Summary: | Knowledge of the active site is the first step to understanding the function of an enzyme. My research encompassed the use of electrostatics-based computational functional site prediction methods, Theoretical Microscopic Anomalous Titration Curve Shapes (THEMATICS) and Partial Order Optimum Likelihood (POOL) to understand the role of active site and distal residues in a polymerase and also to develop a methodology to classify the members of protein superfamilies according to
biochemical function and thus to annotate proteins of unknown function. |
|---|