Related references
Note: Only part of the references are listed.Chemical reaction mechanisms in solution from brute force computational Arrhenius plots
Masoud Kazemi et al.
NATURE COMMUNICATIONS (2015)
Reaction Mechanism of Zinc-Dependent Cytosine Deaminase from Escherichia coli: A Quantum-Chemical Study
Bianca Manta et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2014)
Effect of the Damping Function in Dispersion Corrected Density Functional Theory
Stefan Grimme et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
Aleksandr V. Marenich et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Revised basis sets for the LANL effective core potentials
Lindsay E. Roy et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
Basis set exchange: A community database for computational sciences
Karen L. Schuchardt et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
Thermodynamic properties of enzyme-catalyzed reactions involving cytosine, uracil, thymine, and their nucleosides and nucleotides
Robert A. Alberty
BIOPHYSICAL CHEMISTRY (2007)
The ONIOM molecular dynamics method for biochemical applications: Cytidine deaminase
Toshiaki Matsubara et al.
CHEMICAL PHYSICS LETTERS (2007)
Catalysis and linear free energy relationships in aspartic proteases
Sinisa Bjelic et al.
BIOCHEMISTRY (2006)
A quantum chemical study of the catalysis for cytidine deaminase: Contribution of the extra water molecule
Toshiaki Matsubara et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2006)
Origin of tight binding of a near-perfect transition-state analogue by cytidine deaminase: Implications for enzyme catalysis
HB Guo et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Quantum mechanical/molecular mechanical molecular dynamics simulations of cytidine deaminase: From stabilization of transition state analogues to catalytic mechanisms
Q Xu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
DFT study of the reaction proceeding in the cytidine deaminase
P Kedzierski et al.
CHEMICAL PHYSICS LETTERS (2003)
Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model
M Cossi et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
Structural insights into peptide bond formation
JL Hansen et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2002)
How much do enzymes really gain by restraining their reacting fragments?
A Shurki et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
15N kinetic isotope effects on uncatalyzed and enzymatic deamination of cytine mark
MJ Snider et al.
BIOCHEMISTRY (2002)
Temperature effects on the catalytic efficiency, rate enhancement, and transition state affinity of cytidine deaminase, and the thermodynamic consequences for catalysis of removing a substrate anchor
MJ Snider et al.
BIOCHEMISTRY (2000)