Publications by authors named "Jan Florian"

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A Transition-State Perspective on Y-Family DNA Polymerase η Fidelity in Comparison with X-Family DNA Polymerases λ and β.
Keriann Oertell, Jan Florián, Pouya Haratipour, Debbie C Crans, Boris A Kashemirov

Biochemistry· April 2019

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Computer simulations of the catalytic mechanism of wild-type and mutant β-phosphoglucomutase.
Alexandre Barrozo, Qinghua Liao, Mauricio Esguerra, Gaël Marloie, Jan Florián

Org Biomol Chem· March 2018

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DNA Polymerase λ Active Site Favors a Mutagenic Mispair between the Enol Form of Deoxyguanosine Triphosphate Substrate and the Keto Form of Thymidine Template: A Free Energy Perturbation Study.
Sergey N Maximoff, Shina Caroline Lynn Kamerlin, Jan Florián

J Phys Chem B· August 2017

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Metal Ion Complexes of N,N'-Bis(2-Pyridylmethyl)-trans-1,2-Diaminocyclohexane-N,N'-Diacetic Acid, Hbpcd: Lanthanide(III)-bpcd Cationic Complexes.
Craig C McLauchlan, Jan Florián, Daniel S Kissel, Albert W Herlinger

Inorg Chem· March 2017

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Uniform Free-Energy Profiles of the P-O Bond Formation and Cleavage Reactions Catalyzed by DNA Polymerases β and λ.
Martin Klvaňa, Urban Bren, Jan Florián

J Phys Chem B· December 2016

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Lipid molecules can induce an opening of membrane-facing tunnels in cytochrome P450 1A2.
Petr Jeřábek, Jan Florián, Václav Martínek

Phys Chem Chem Phys· November 2016

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Membrane-Anchored Cytochrome P450 1A2-Cytochrome b5 Complex Features an X-Shaped Contact between Antiparallel Transmembrane Helices.
Petr Jeřábek, Jan Florián, Václav Martínek

Chem Res Toxicol· April 2016

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Metal Ion Complexes of N,N'-Bis(2-Pyridylmethyl)-trans-1,2-Diaminocyclohexane-N,N'-Diacetic Acid, H2bpcd: Cis/Trans Isomerization Equilibria.
Jan Florián, Craig C McLauchlan, Daniel S Kissel, Chad C Eichman, Albert W Herlinger

Inorg Chem· November 2015

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Flexible docking-based molecular dynamics/steered molecular dynamics calculations of protein-protein contacts in a complex of cytochrome P450 1A2 with cytochrome b5.
Petr Jeřábek, Jan Florián, Marie Stiborová, Václav Martínek

Biochemistry· October 2014

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Quantum mechanical analysis of nonenzymatic nucleotidyl transfer reactions: kinetic and thermodynamic effects of β-γ bridging groups of dNTP substrates.
Zheng Zhang, Josh Eloge, Jan Florián

Biochemistry· July 2014

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Metal ion complexes of N,N'-bis(2-pyridylmethyl)-1,3-diaminopropane-N,N'-diacetic acid, H2bppd.
Daniel S Kissel, Jan Florián, Craig C McLauchlan, Albert W Herlinger

Inorg Chem· April 2014

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Empirical valence bond simulations of the chemical mechanism of ATP to cAMP conversion by anthrax edema factor.
Letif Mones, Wei-Jen Tang, Jan Florián

Biochemistry· April 2013

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Catalytic effects of mutations of distant protein residues in human DNA polymerase β: theory and experiment.
Martin Klvaňa, Drew L Murphy, Petr Jeřábek, Myron F Goodman, Arieh Warshel

Biochemistry· November 2012

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Intramolecular base stacking of dinucleoside monophosphate anions in aqueous solution.
Salem Jafilan, Leah Klein, Christian Hyun, Jan Florián

J Phys Chem B· March 2012

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CH···π interactions do not contribute to hydrogen transfer catalysis by glycerol dehydratase.
Yuemin Liu, August A Gallo, Wu Xu, Rakesh Bajpai, Jan Florián

J Phys Chem A· October 2011

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An abridged transition state model to derive structure, dynamics, and energy components of DNA polymerase β fidelity.
Martin Klvaňa, Petr Jeřábek, Myron F Goodman, Jan Florián

Biochemistry· August 2011

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Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering.
Zbynek Prokop, Yukari Sato, Jan Brezovsky, Tomas Mozga, Radka Chaloupkova, Jan Florian

Angew Chem Int Ed Engl· August 2010

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QM/MM (ONIOM) study of glycerol binding and hydrogen abstraction by the coenzyme B12-independent dehydratase.
Yuemin Liu, August A Gallo, Jan Florián, Yen-Shan Liu, Sandeep Mora

J Phys Chem B· April 2010

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DNA duplex stability: the role of preorganized electrostatics.
Urban Bren, Jurij Lah, Matevz Bren, Václav Martínek, Jan Florián

J Phys Chem B· March 2010

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Linear energy relationships for the octahedral preference of Mg, Ca and transition metal ions.
George Pontikis, James Borden, Václav Martínek, Jan Florián

J Phys Chem A· April 2009

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Alkaline phosphatase inhibition by vanadyl-beta-diketone complexes: electron density effects.
Amanda J Ziegler, Jan Florian, Miguel A Ballicora, Albert W Herlinger

J Enzyme Inhib Med Chem· February 2009

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Protein-protein docking and analysis reveal that two homologous bacterial adenylyl cyclase toxins interact with calmodulin differently.
Qing Guo, Justin E Jureller, Julia T Warren, Elena Solomaha, Jan Florián

J Biol Chem· August 2008

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Associative versus dissociative mechanisms of phosphate monoester hydrolysis: on the interpretation of activation entropies.
Shina C L Kamerlin, Jan Florián, Arieh Warshel

Chemphyschem· August 2008

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DNA polymerase beta fidelity: halomethylene-modified leaving groups in pre-steady-state kinetic analysis reveal differences at the chemical transition state.
Christopher A Sucato, Thomas G Upton, Boris A Kashemirov, Jorge Osuna, Keriann Oertell

Biochemistry· January 2008

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Probing the two-metal ion mechanism in the restriction endonuclease BamHI.
Letif Mones, Petr Kulhánek, Jan Florián, István Simon, Monika Fuxreiter

Biochemistry· December 2007

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