Add to ORKGIn this thesiss everal aspects of different methods of theoretical chemistry are investigated. The biomolecular process of interest is the proton transfer in the proposed reaction mechanism of papain, a proteolytic enzyme. The reaction involves the active site residues which play a crucial role in the reaction mechanism. ... Zie: Summary
This review explores the potential of quantum chemistry to help understand complex biochemical react...
Phosphoserine phosphatase (PSP), a member of the haloacid dehalogenase (HAD) superfamily that compri...
In this thesis, density functional theory is employed in the study of two kinds of systems that can ...
In recent years, there has been an explosion in knowledge and research associated with the field of ...
There is growing evidence that some enzymes catalyze reactions through the formation of short–strong...
The Quantum chemical cluster approach has been shown to be quite powerful and efficient in the model...
In this thesis, quantum chemistry, in particular the B3LYP density functional method, is used to inv...
Most enzyme reactions involve formation and cleavage of covalent bonds, while electrostatic effects,...
Computer modeling of enzymes is a valuable complement to experiments. Quantum chemical studies of en...
Ribosomes transform the genetic information encoded within genes into proteins. In recent years, the...
Nature has developed large groups of enzymatic catalysts with the aim to transfer substrates into us...
Phosphate transfer reactions are catalyzed by a large number of enzymes comprising kinases, mutases ...
The search for the mechanism of ribosomal peptide bond formation is still ongoing. Even though the a...
The combined quantum mechanics/molecular mechanics (QM/MM) methods have become a valuable tool in co...
The computational methods for the study of enzymic reaction mechanisms were discussed. High level qu...
This review explores the potential of quantum chemistry to help understand complex biochemical react...
Phosphoserine phosphatase (PSP), a member of the haloacid dehalogenase (HAD) superfamily that compri...
In this thesis, density functional theory is employed in the study of two kinds of systems that can ...
In recent years, there has been an explosion in knowledge and research associated with the field of ...
There is growing evidence that some enzymes catalyze reactions through the formation of short–strong...
The Quantum chemical cluster approach has been shown to be quite powerful and efficient in the model...
In this thesis, quantum chemistry, in particular the B3LYP density functional method, is used to inv...
Most enzyme reactions involve formation and cleavage of covalent bonds, while electrostatic effects,...
Computer modeling of enzymes is a valuable complement to experiments. Quantum chemical studies of en...
Ribosomes transform the genetic information encoded within genes into proteins. In recent years, the...
Nature has developed large groups of enzymatic catalysts with the aim to transfer substrates into us...
Phosphate transfer reactions are catalyzed by a large number of enzymes comprising kinases, mutases ...
The search for the mechanism of ribosomal peptide bond formation is still ongoing. Even though the a...
The combined quantum mechanics/molecular mechanics (QM/MM) methods have become a valuable tool in co...
The computational methods for the study of enzymic reaction mechanisms were discussed. High level qu...
This review explores the potential of quantum chemistry to help understand complex biochemical react...
Phosphoserine phosphatase (PSP), a member of the haloacid dehalogenase (HAD) superfamily that compri...
In this thesis, density functional theory is employed in the study of two kinds of systems that can ...