Relative binding free energy calculations of inhibitors to two mutants (Glu46----Ala/Gln) of ribonuclease T1 using molecular dynamics/free energy perturbation approaches. [electronic resource]
Producer: 19910823Description: 233-43 p. digitalISSN:- 0269-2139
- Adenosine Monophosphate -- pharmacology
- Binding Sites
- Energy Transfer
- Guanosine Monophosphate -- pharmacology
- Hydrogen Bonding
- Mathematics
- Models, Molecular
- Molecular Conformation
- Mutagenesis, Site-Directed
- Ribonuclease T1 -- antagonists & inhibitors
- Substrate Specificity
- Thermodynamics
- X-Ray Diffraction
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Publication Type: Journal Article; Research Support, U.S. Gov't, Non-P.H.S.; Research Support, U.S. Gov't, P.H.S.
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