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Jan Florian
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Q‐Chem 2.0: a high‐performance ab initio electronic structure program package
J Kong, CA White, AI Krylov, D Sherrill, RD Adamson, TR Furlani, MS Lee, ...
Journal of Computational Chemistry 21 (16), 1532-1548, 2000
6902000
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 …
J Florián, A Warshel
The Journal of Physical Chemistry B 101 (28), 5583-5595, 1997
3401997
Spontaneous DNA Mutations Induced by Proton Transfer in the Guanine⊙ Cytosine Base Pairs: An Energetic Perspective
J Florian, J Leszczyński
Journal of the American Chemical Society 118 (12), 3010-3017, 1996
3351996
Phosphate ester hydrolysis in aqueous solution: associative versus dissociative mechanisms
J Florián, A Warshel
The Journal of Physical Chemistry B 102 (4), 719-734, 1998
2921998
Hybrid ab initio quantum mechanics/molecular mechanics calculations of free energy surfaces for enzymatic reactions: the nucleophilic attack in subtilisin
J Bentzien, RP Muller, J Florián, A Warshel
The Journal of Physical Chemistry B 102 (12), 2293-2301, 1998
2081998
Mechanistic alternatives in phosphate monoester hydrolysis: what conclusions can be drawn from available experimental data?
J Ĺqvist, K Kolmodin, J Florian, A Warshel
Chemistry & biology 6 (3), R71-R80, 1999
1981999
Thermodynamic parameters for stacking and hydrogen bonding of nucleic acid bases in aqueous solution: ab initio/Langevin dipoles study
J Florian, J Šponer, A Warshel
The Journal of Physical Chemistry B 103 (5), 884-892, 1999
1831999
Remarkable rate enhancement of orotidine 5 ‘-monophosphate decarboxylase is due to transition-state stabilization rather than to ground-state destabilization
A Warshel, M Štrajbl, J Villa, J Florián
Biochemistry 39 (48), 14728-14738, 2000
1772000
Proton transfer in the adenine-thymine base pair
J Florian, V Hrouda, P Hobza
Journal of the American Chemical Society 116 (4), 1457-1460, 1994
1741994
IR and Raman spectra, tautomeric stabilities, and scaled quantum mechanical force fields of protonated cytosine
J Florián, V Baumruk, J Leszczyński
The Journal of Physical Chemistry 100 (13), 5578-5589, 1996
1701996
Computer simulation of the chemical catalysis of DNA polymerases: discriminating between alternative nucleotide insertion mechanisms for T7 DNA polymerase
J Florián, MF Goodman, A Warshel
Journal of the American Chemical Society 125 (27), 8163-8177, 2003
1682003
Calculations of hydration entropies of hydrophobic, polar, and ionic solutes in the framework of the Langevin dipoles solvation model
J Florián, A Warshel
The Journal of Physical Chemistry B 103 (46), 10282-10288, 1999
1681999
Computer simulations of enzyme catalysis: finding out what has been optimized by evolution
A Warshel, J Florián
Proceedings of the National Academy of Sciences 95 (11), 5950-5955, 1998
1621998
Calcium‐independent calmodulin binding and two‐metal–ion catalytic mechanism of anthrax edema factor
Y Shen, NL Zhukovskaya, Q Guo, J Florián, WJ Tang
The EMBO Journal 24 (5), 929-941, 2005
1562005
Comparison and scaling of hartree-fock and density functional harmonic force fields. 1. Formamide monomer
J Florian, BG Johnson
The Journal of Physical Chemistry 98 (14), 3681-3687, 1994
1521994
Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering
Z Prokop, Y Sato, J Brezovsky, T Mozga, R Chaloupkova, T Koudelakova, ...
Angewandte Chemie International Edition 49 (35), 6111-6115, 2010
1332010
A Fundamental Assumption about OH- Attack in Phosphate Ester Hydrolysis Is Not Fully Justified
J Florián, A Warshel
Journal of the American Chemical Society 119 (23), 5473-5474, 1997
1301997
Nonplanar DNA base pairs
J Šponer, J Florián, P Hobza, J Leszczynski
Journal of Biomolecular Structure and Dynamics 13 (5), 827-833, 1996
1301996
Ab initio evaluation of the potential surface for general base-catalyzed methanolysis of formamide: A reference solution reaction for studies of serine proteases
M Štrajbl, J Florián, A Warshel
Journal of the American Chemical Society 122 (22), 5354-5366, 2000
1292000
Computer simulations of protein functions: searching for the molecular origin of the replication fidelity of DNA polymerases
J Florián, MF Goodman, A Warshel
Proceedings of the National Academy of Sciences 102 (19), 6819-6824, 2005
1212005
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