Towards a quantum-chemical representation of enzyme activity. A scrf pce cndo/2 study of the ladh proton relay system
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference30 articles.
1. An estimate of intraproteic electrostatic fields values originated by the peptide groups in α-Chymotrypsin
2. Electrostatic potentials of proteins. 2. Role of electrostatics in a possible catalytic mechanism for carboxypeptidase A
3. Environmental effects on H-bond potentials: A SCRF MO CNDO/2 study of some model systems
4. Self-consistent reaction field theory of solvent effects
5. Some remarks on the SCRF theory of solvent effects and the calculation of proton potentials
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1. Effect of environment on enzymatic action: His-64 … asp-32 proton transfer in subtilisin;International Journal of Quantum Chemistry;2009-06-19
2. Computer Simulation for Chemical Systems: from Vacuum to Solution;Solvent Effects and Chemical Reactivity;2002
3. Ab initio MO study on the solvent effect for hydrogen shift from hydrogen peroxide (H 2 O 2 ) to water oxide (O–OH 2 );Journal of Molecular Structure: THEOCHEM;2001-09
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