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Warshel A

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Publications:

Title Authors Year Journal
Catalytic Effects of Mutations of Distant Protein Residues in Human DNA Polymerase β: Theory and Experiment. Warshel A 2012 Biochemistry
A binding free energy decomposition approach for accurate calculations of the fidelity of DNA polymerases. Warshel A 2010 Proteins
A computational study of the hydrolysis of dGTP analogues with halomethylene-modified leaving groups in solution: implications for the mechanism of DNA polymerases. Warshel A 2009 Biochemistry
Exploring the role of large conformational changes in the fidelity of DNA polymerase beta. Warshel A 2008 Proteins
DNA polymerase beta fidelity: halomethylene-modified leaving groups in pre-steady-state kinetic analysis reveal differences at the chemical transition state. Warshel A 2008 Biochemistry
DNA polymerase beta catalytic efficiency mirrors the Asn279-dCTP H-bonding strength. Warshel A 2007 FEBS letters
Modifying the beta,gamma leaving-group bridging oxygen alters nucleotide incorporation efficiency, fidelity, and the catalytic mechanism of DNA polymerase beta. Warshel A 2007 Biochemistry
Magnesium-cationic dummy atom molecules enhance representation of DNA polymerase beta in molecular dynamics simulations: improved accuracy in studies of structural features and mutational effects. Warshel A 2007 Journal of molecular biology
Simulating the effect of DNA polymerase mutations on transition-state energetics and fidelity: evaluating amino acid group contribution and allosteric coupling for ionized residues in human pol beta. Warshel A 2006 Biochemistry
Computer simulations of protein functions: searching for the molecular origin of the replication fidelity of DNA polymerases. Warshel A 2005 Proceedings of the National Academy of Sciences of the United States of America
Computer simulation of the chemical catalysis of DNA polymerases: discriminating between alternative nucleotide insertion mechanisms for T7 DNA polymerase. Warshel A 2003 Journal of the American Chemical Society
Computer simulation studies of the fidelity of DNA polymerases. Warshel A 2003 Biopolymers

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