Jan Florián

发表

Q-Chem 2.0: a high-performance ab initio electronic structure program package

Weimin Zhang, Arieh Warshel, So Hirata, 2000, J. Comput. Chem..

Variation of atomic charges during proton transfer in hydrogen bonds

Steve Scheiner, Jan Florián, J. Florián, 1994, J. Comput. Chem..

Modifying the beta,gamma leaving-group bridging oxygen alters nucleotide incorporation efficiency, fidelity, and the catalytic mechanism of DNA polymerase beta.

Arieh Warshel, Samuel H. Wilson, Jan Florián, 2007, Biochemistry.

Spontaneous DNA Mutations Induced by Proton Transfer in the Guanine·Cytosine Base Pairs: An Energetic Perspective

Jerzy Leszczynski, Jan Florián, J. Florián, 1996 .

Computer simulations of protein functions: searching for the molecular origin of the replication fidelity of DNA polymerases.

Arieh Warshel, Jan Florián, A. Warshel, 2005, Proceedings of the National Academy of Sciences of the United States of America.

Comment on Molecular Mechanics for Chemical Reactions

Jan Florián, 2002 .

Langevin Dipoles Model for ab Initio Calculations of Chemical Processes in Solution: Parametrization and Application to Hydration Free Energies of Neutral and Ionic Solutes and Conformational Analysis in Aqueous Solution

Arieh Warshel, Jan Florián, A. Warshel, 1997 .

The prediction of Raman spectra by density functional theory. Preliminary findings

Benny G. Johnson, Jan Florián, J. Florián, 1995 .

Empirical valence bond simulations of the chemical mechanism of ATP to cAMP conversion by anthrax edema factor.

Letif Mones, Wei-Jen Tang, Jan Florián, 2013, Biochemistry.

Decomposition of the solvation free energies of deoxyribonucleoside triphosphates using the free energy perturbation method.

Urban Bren, Jan Florián, Václav Martínek, 2006, The journal of physical chemistry. B.

DNA duplex stability: the role of preorganized electrostatics.

Urban Bren, Matevz Bren, Jan Florián, 2010, The journal of physical chemistry. B.

The Empirical Valence Bond (EVB) Method

Arieh Warshel, Jan Florián, A. Warshel, 2004 .

Free-Energy Perturbation Calculations of DNA Destabilization by Base Substitutions: The Effect of Neutral Guanine·Thymine, Adenine·Cytosine and Adenine·Difluorotoluene Mismatches

Arieh Warshel, Jan Florián, A. Warshel, 2000 .

Hybrid ab Initio Quantum Mechanics/Molecular Mechanics Calculations of Free Energy Surfaces for Enzymatic Reactions: The Nucleophilic Attack in Subtilisin

Arieh Warshel, Richard P. Muller, Jan Florián, 1998 .

Computer simulation of the chemical catalysis of DNA polymerases: discriminating between alternative nucleotide insertion mechanisms for T7 DNA polymerase.

Arieh Warshel, Jan Florián, A. Warshel, 2003, Journal of the American Chemical Society.

Proton Transfer in the Adenine-Thymine Base Pair

Pavel Hobza, Jan Florián, J. Florián, 1994 .

Double Proton Transfer: From the Formamide Dimer to the Adenine.cntdot..cntdot..cntdot.Thymine Base Pair

Pavel Hobza, Jan Florián, Martin Polasek, 1994 .

IR AND RAMAN SPECTRA, CONFORMATIONAL FLEXIBILITY, AND SCALED QUANTUM MECHANICAL FORCE FIELDS OF SODIUM DIMETHYL PHOSPHATE AND DIMETHYL PHOSPHATE ANION

Jan Florián, Vladimír Baumruk, J. Florián, 1996 .

DNA polymerase beta fidelity: halomethylene-modified leaving groups in pre-steady-state kinetic analysis reveal differences at the chemical transition state.

Arieh Warshel, Samuel H. Wilson, Jan Florián, 2008, Biochemistry.

Do all pieces make a whole? Thiele cumulants and the free energy decomposition

Urban Bren, Matevž Bren, Jan Florián, 2007 .