| Year |
Citation |
Score |
| 2019 |
Oertell K, Florian J, Haratipour P, Crans DC, Kashemirov BA, Wilson SH, McKenna CE, Goodman MF. A Transition-State Perspective on Y-Family DNA Polymerase η Fidelity in Comparison with X-Family DNA Polymerases λ and β. Biochemistry. PMID 30839203 DOI: 10.1021/Acs.Biochem.9B00087 |
0.339 |
|
| 2018 |
Barrozo A, Liao Q, Esguerra M, Marloie G, Florián J, Williams NH, Kamerlin SCL. Computer simulations of the catalytic mechanism of wild-type and mutant β-phosphoglucomutase. Organic & Biomolecular Chemistry. PMID 29508879 DOI: 10.1039/C8Ob00312B |
0.344 |
|
| 2017 |
Maximoff SN, Kamerlin SCL, Florian J. 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. The Journal of Physical Chemistry. B. PMID 28732447 DOI: 10.1021/Acs.Jpcb.7B04874 |
0.41 |
|
| 2017 |
McLauchlan CC, Florián J, Kissel DS, Herlinger AW. Metal Ion Complexes of N,N'-Bis(2-Pyridylmethyl)-trans-1,2-Diaminocyclohexane-N,N'-Diacetic Acid, H2bpcd: Lanthanide(III)-bpcd(2-) Cationic Complexes. Inorganic Chemistry. PMID 28267320 DOI: 10.1021/Acs.Inorgchem.6B03137 |
0.347 |
|
| 2016 |
Klvaňa M, Bren U, Florián J. Uniform Free-Energy Profiles of the P-O Bond Formation and Cleavage Reactions Catalyzed by DNA Polymerases β and λ. The Journal of Physical Chemistry. B. PMID 27992186 DOI: 10.1021/Acs.Jpcb.6B08581 |
0.418 |
|
| 2015 |
Florián J, McLauchlan CC, Kissel DS, Eichman CC, Herlinger AW. Metal Ion Complexes of N,N'-Bis(2-Pyridylmethyl)-trans-1,2-Diaminocyclohexane-N,N'-Diacetic Acid, H2bpcd: Cis/Trans Isomerization Equilibria. Inorganic Chemistry. 54: 10361-70. PMID 26478942 DOI: 10.1021/Acs.Inorgchem.5B01586 |
0.34 |
|
| 2014 |
Jeřábek P, Florián J, Stiborová M, Martínek V. Flexible docking-based molecular dynamics/steered molecular dynamics calculations of protein-protein contacts in a complex of cytochrome P450 1A2 with cytochrome b5. Biochemistry. 53: 6695-705. PMID 25313797 DOI: 10.1021/Bi500814T |
0.303 |
|
| 2014 |
Zhang Z, Eloge J, Florián J. Quantum mechanical analysis of nonenzymatic nucleotidyl transfer reactions: kinetic and thermodynamic effects of β-γ bridging groups of dNTP substrates. Biochemistry. 53: 4180-91. PMID 24901652 DOI: 10.1021/Bi5003713 |
0.345 |
|
| 2014 |
Kissel DS, Florián J, McLauchlan CC, Herlinger AW. Metal ion complexes of N,N'-bis(2-pyridylmethyl)-1,3-diaminopropane-N,N'-diacetic acid, H2bppd. Inorganic Chemistry. 53: 3404-16. PMID 24649926 DOI: 10.1021/Ic402810E |
0.355 |
|
| 2013 |
Mones L, Tang WJ, Florián J. Empirical valence bond simulations of the chemical mechanism of ATP to cAMP conversion by anthrax edema factor. Biochemistry. 52: 2672-82. PMID 23480863 DOI: 10.1021/Bi400088Y |
0.437 |
|
| 2013 |
Bartucci MA, Florián J, Ciszek JW. Spectroscopic evidence of work function alterations due to photoswitchable monolayers on gold surfaces Journal of Physical Chemistry C. 117: 19471-19476. DOI: 10.1021/Jp405710U |
0.304 |
|
| 2012 |
Klvaňa M, Murphy DL, Jeřábek P, Goodman MF, Warshel A, Sweasy JB, Florián J. Catalytic effects of mutations of distant protein residues in human DNA polymerase β: theory and experiment. Biochemistry. 51: 8829-43. PMID 23013478 DOI: 10.1021/Bi300783T |
0.375 |
|
| 2012 |
Jafilan S, Klein L, Hyun C, Florián J. Intramolecular base stacking of dinucleoside monophosphate anions in aqueous solution. The Journal of Physical Chemistry. B. 116: 3613-8. PMID 22369267 DOI: 10.1021/Jp209986Y |
0.4 |
|
| 2012 |
Prasad BR, Kamerlin SCL, Florián J, Warshel A. Prechemistry barriers and checkpoints do not contribute to fidelity and catalysis as long as they are not rate limiting Theoretical Chemistry Accounts. 131: 1-15. DOI: 10.1007/S00214-012-1288-6 |
0.363 |
|
| 2011 |
Liu Y, Gallo AA, Xu W, Bajpai R, Florián J. CH···π interactions do not contribute to hydrogen transfer catalysis by glycerol dehydratase. The Journal of Physical Chemistry. A. 115: 11162-6. PMID 21888321 DOI: 10.1021/Jp202687G |
0.394 |
|
| 2011 |
Klvaňa M, Jeřábek P, Goodman MF, Florián J. An abridged transition state model to derive structure, dynamics, and energy components of DNA polymerase β fidelity. Biochemistry. 50: 7023-32. PMID 21739967 DOI: 10.1021/Bi200790S |
0.39 |
|
| 2010 |
Liu Y, Gallo AA, Florián J, Liu YS, Mora S, Xu W. QM/MM (ONIOM) study of glycerol binding and hydrogen abstraction by the coenzyme B12-independent dehydratase. The Journal of Physical Chemistry. B. 114: 5497-502. PMID 20361776 DOI: 10.1021/Jp910349Q |
0.392 |
|
| 2010 |
Bren U, Lah J, Bren M, Martínek V, Florián J. DNA duplex stability: the role of preorganized electrostatics. The Journal of Physical Chemistry. B. 114: 2876-85. PMID 20131770 DOI: 10.1021/Jp9064246 |
0.345 |
|
| 2009 |
Pontikis G, Borden J, Martínek V, Florián J. Linear energy relationships for the octahedral preference of Mg, Ca and transition metal ions. The Journal of Physical Chemistry. A. 113: 3588-93. PMID 19323489 DOI: 10.1021/Jp808928F |
0.579 |
|
| 2009 |
Ziegler AJ, Florian J, Ballicora MA, Herlinger AW. Alkaline phosphatase inhibition by vanadyl-beta-diketone complexes: electron density effects. Journal of Enzyme Inhibition and Medicinal Chemistry. 24: 22-8. PMID 18615288 DOI: 10.1080/14756360701841426 |
0.309 |
|
| 2008 |
Kamerlin SC, Florián J, Warshel A. Associative versus dissociative mechanisms of phosphate monoester hydrolysis: on the interpretation of activation entropies. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 9: 1767-73. PMID 18666265 DOI: 10.1002/Cphc.200800356 |
0.355 |
|
| 2008 |
Guo Q, Jureller JE, Warren JT, Solomaha E, Florián J, Tang WJ. Protein-protein docking and analysis reveal that two homologous bacterial adenylyl cyclase toxins interact with calmodulin differently. The Journal of Biological Chemistry. 283: 23836-45. PMID 18583346 DOI: 10.1074/Jbc.M802168200 |
0.304 |
|
| 2008 |
Sucato CA, Upton TG, Kashemirov BA, Osuna J, Oertell K, Beard WA, Wilson SH, Florián J, Warshel A, McKenna CE, Goodman MF. DNA polymerase beta fidelity: halomethylene-modified leaving groups in pre-steady-state kinetic analysis reveal differences at the chemical transition state. Biochemistry. 47: 870-9. PMID 18161950 DOI: 10.1021/Bi7014162 |
0.384 |
|
| 2007 |
Mones L, Kulhánek P, Florián J, Simon I, Fuxreiter M. Probing the two-metal ion mechanism in the restriction endonuclease BamHI. Biochemistry. 46: 14514-23. PMID 18020376 DOI: 10.1021/Bi701630S |
0.326 |
|
| 2007 |
Crans DC, Holder AA, Saha TK, Prakash GK, Yousufuddin M, Kultyshev R, Ismail R, Goodman MF, Borden J, Florian J. Chelation of vanadium(V) by difluoromethylene bisphosphonate, a structural analogue of pyrophosphate. Inorganic Chemistry. 46: 6723-32. PMID 17628058 DOI: 10.1021/Ic062484R |
0.574 |
|
| 2007 |
Florián J, Gao L, Zhukhovskyy V, Macmillan DK, Chiarelli MP. Nitramine anion fragmentation: a mass spectrometric and Ab initio study. Journal of the American Society For Mass Spectrometry. 18: 835-41. PMID 17317211 DOI: 10.1016/J.Jasms.2007.01.009 |
0.317 |
|
| 2007 |
Martínek V, Bren U, Goodman MF, Warshel A, Florián J. DNA polymerase beta catalytic efficiency mirrors the Asn279-dCTP H-bonding strength. Febs Letters. 581: 775-80. PMID 17286973 DOI: 10.1016/J.Febslet.2007.01.042 |
0.346 |
|
| 2007 |
Sucato CA, Upton TG, Kashemirov BA, Batra VK, Martínek V, Xiang Y, Beard WA, Pedersen LC, Wilson SH, McKenna CE, Florián J, Warshel A, Goodman MF. Modifying the beta,gamma leaving-group bridging oxygen alters nucleotide incorporation efficiency, fidelity, and the catalytic mechanism of DNA polymerase beta. Biochemistry. 46: 461-71. PMID 17209556 DOI: 10.1021/Bi061517B |
0.379 |
|
| 2007 |
Bren M, Florián J, Mavri J, Bren U. Do all pieces make a whole? Thiele cumulants and the free energy decomposition Theoretical Chemistry Accounts. 117: 535-540. DOI: 10.1007/S00214-007-0264-Z |
0.357 |
|
| 2006 |
Borden J, Crans DC, Florián J. Transition state analogues for nucleotidyl transfer reactions: Structure and stability of pentavalent vanadate and phosphate ester dianions. The Journal of Physical Chemistry. B. 110: 14988-99. PMID 16869614 DOI: 10.1021/Jp060168S |
0.629 |
|
| 2006 |
Bren U, Martínek V, Florián J. Decomposition of the solvation free energies of deoxyribonucleoside triphosphates using the free energy perturbation method. The Journal of Physical Chemistry. B. 110: 12782-8. PMID 16800613 DOI: 10.1021/Jp056623M |
0.391 |
|
| 2006 |
Xiang Y, Oelschlaeger P, Florián J, Goodman MF, Warshel A. 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. Biochemistry. 45: 7036-48. PMID 16752894 DOI: 10.1021/Bi060147O |
0.399 |
|
| 2006 |
Bren U, Martínek V, Florian J. Free energy simulations of uncatalyzed DNA replication fidelity: structure and stability of T.G and dTTP.G terminal DNA mismatches flanked by a single dangling nucleotide. The Journal of Physical Chemistry. B. 110: 10557-66. PMID 16722767 DOI: 10.1021/Jp060292B |
0.409 |
|
| 2005 |
Florián J, Goodman MF, Warshel A. Computer simulations of protein functions: searching for the molecular origin of the replication fidelity of DNA polymerases. Proceedings of the National Academy of Sciences of the United States of America. 102: 6819-24. PMID 15863620 DOI: 10.1073/Pnas.0408173102 |
0.398 |
|
| 2005 |
Florián J, Borden J. Structure and torsional flexibility of the linkage between guanine and fluorene residues in the deoxyguanosine-aminofluorene and deoxyguanosine- acetylaminofluorene carcinogenic adducts Theoretical Chemistry Accounts. 113: 28-34. DOI: 10.1007/S00214-004-0566-3 |
0.613 |
|
| 2004 |
Guo Q, Shen Y, Zhukovskaya NL, Florián J, Tang WJ. Structural and kinetic analyses of the interaction of anthrax adenylyl cyclase toxin with reaction products cAMP and pyrophosphate. The Journal of Biological Chemistry. 279: 29427-35. PMID 15131111 DOI: 10.1074/Jbc.M402689200 |
0.346 |
|
| 2003 |
Florián J, Goodman MF, Warshel A. Computer simulation of the chemical catalysis of DNA polymerases: discriminating between alternative nucleotide insertion mechanisms for T7 DNA polymerase. Journal of the American Chemical Society. 125: 8163-77. PMID 12837086 DOI: 10.1021/Ja028997O |
0.429 |
|
| 2003 |
Florián J, Goodman MF, Warshel A. Computer simulation studies of the fidelity of DNA polymerases. Biopolymers. 68: 286-99. PMID 12601790 DOI: 10.1002/Bip.10244 |
0.363 |
|
| 2002 |
Florián J, Warshel A, Goodman MF. Molecular dynamics free-energy simulations of the binding contribution to the fidelity of T7 DNA polymerase Journal of Physical Chemistry B. 106: 5754-5760. DOI: 10.1021/Jp020791M |
0.345 |
|
| 2002 |
Florián J, Goodman MF, Warshel A. Theoretical investigation of the binding free energies and key substrate-recognition components of the replication fidelity of human DNA polymerase β Journal of Physical Chemistry B. 106: 5739-5753. DOI: 10.1021/Jp020790U |
0.394 |
|
| 2002 |
Florian J. Comment on Molecular Mechanics for Chemical Reactions Journal of Physical Chemistry A. 106: 5046-5047. DOI: 10.1021/Jp0135510 |
0.365 |
|
| 2000 |
Poner J, Florián J, Ng HL, Poner JE, Packová N. Local conformational variations observed in B-DNA crystals do not improve base stacking: computational analysis of base stacking in a d(CATGGGCCCATG)(2) B<-->A intermediate crystal structure. Nucleic Acids Research. 28: 4893-902. PMID 11121480 DOI: 10.1093/Nar/28.24.4893 |
0.367 |
|
| 2000 |
Warshel A, Strajbl M, Villà J, Florián J. Remarkable rate enhancement of orotidine 5'-monophosphate decarboxylase is due to transition-state stabilization rather than to ground-state destabilization. Biochemistry. 39: 14728-38. PMID 11101287 DOI: 10.1021/Bi000987H |
0.42 |
|
| 2000 |
Florián J, Goodman MF, Warshel A. Free-energy perturbation calculations of DNA destabilization by base substitutions: The effect of neutral guanine·thymine, adenine·cytosine and adenine·difluorotoluene mismatches Journal of Physical Chemistry B. 104: 10092-10099. DOI: 10.1021/Jp001760Z |
0.392 |
|
| 1999 |
Aqvist J, Kolmodin K, Florian J, Warshel A. Mechanistic alternatives in phosphate monoester hydrolysis: what conclusions can be drawn from available experimental data? Chemistry & Biology. 6: R71-80. PMID 10074472 DOI: 10.1016/S1074-5521(99)89003-6 |
0.352 |
|
| 1999 |
Florián J, Warshel A. Quantum-chemical insights into mechanisms of the nonenzymatic hydrolysis of phosphate monoesters Phosphorus, Sulfur and Silicon and Related Elements. 144: 525-528. DOI: 10.1080/10426509908546297 |
0.358 |
|
| 1999 |
Florián J, Warshel A. Calculations of Hydration Entropies of Hydrophobic, Polar, and Ionic Solutes in the Framework of the Langevin Dipoles Solvation Model Journal of Physical Chemistry B. 103: 10282-10288. DOI: 10.1021/Jp992041R |
0.376 |
|
| 1999 |
Florián J, Šponer J, Warshel A. Thermodynamic parameters for stacking and hydrogen bonding of nucleic acid bases in aqueous solution: Ab initio/langevin dipoles study Journal of Physical Chemistry B. 103: 884-892. DOI: 10.1021/Jp983699S |
0.403 |
|
| 1998 |
Warshel A, Florián J. Computer simulations of enzyme catalysis: finding out what has been optimized by evolution. Proceedings of the National Academy of Sciences of the United States of America. 95: 5950-5. PMID 9600897 DOI: 10.1073/Pnas.95.11.5950 |
0.346 |
|
| 1998 |
Bentzien J, Muller RP, Florián J, Warshel A. Hybrid ab initio quantum mechanics/molecular mechanics calculations of free energy surfaces for enzymatic reactions: The nucleophilic attack in subtilisin Journal of Physical Chemistry B. 102: 2293-2301. DOI: 10.1021/Jp973480Y |
0.415 |
|
| 1998 |
Štrajbl M, Baumruk aV, Florián J. Scaled Quantum Mechanical Force Fields and Vibrational Spectra of Nucleic Acid Constituents. 9. Tetrahydrofuran Journal of Physical Chemistry B. 102: 1314-1319. DOI: 10.1021/Jp972829E |
0.376 |
|
| 1998 |
Florián J, Warshel A. Phosphate ester hydrolysis in aqueous solution: Associative versus dissociative mechanisms Journal of Physical Chemistry B. 102: 719-734. DOI: 10.1021/Jp972182Y |
0.304 |
|
| 1998 |
Florian J, Aqvist J, Warshel A. On the reactivity of phosphate monoester dianions in aqueous solution: Bronsted linear free-energy relationships do not have an unique mechanistic interpretation [8] Journal of the American Chemical Society. 120: 11524-11525. DOI: 10.1021/Ja982698A |
0.327 |
|
| 1998 |
Florián J, Štrajbl M, Warshel A. Conformational flexibility of phosphate, phosphonate, and phosphorothioate methyl esters in aqueous solution Journal of the American Chemical Society. 120: 7959-7966. DOI: 10.1021/Ja9710823 |
0.36 |
|
| 1998 |
Štrajbl M, Florián J. Density functional calculations of the pseudorotational flexibility of tetrahydrofuran Theoretical Chemistry Accounts. 99: 166-170. DOI: 10.1007/S002140050319 |
0.352 |
|
| 1997 |
FLORIAN J, LESZCZYNSKI J, JOHNSON B, GOODMAN L. Coupled-cluster and density functional calculations of the molecular structure, infrared spectra, Raman spectra, and harmonic force constants for methanol Molecular Physics. 91: 439-447. DOI: 10.1080/00268979709482734 |
0.348 |
|
| 1997 |
Florián J, Warshel A. 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 The Journal of Physical Chemistry B. 101: 5583-5595. DOI: 10.1021/Jp9705075 |
0.362 |
|
| 1997 |
Štrajbl M, Baumruk V, Florián J, Bednářová L, Rosenberg I, Štěpánek J. Vibrational spectra and quantum mechanical force fields of modified oligonucleotide linkages: 1. methyl methoxymethanphosphonate Journal of Molecular Structure. 415: 161-177. DOI: 10.1016/S0022-2860(97)00079-3 |
0.356 |
|
| 1996 |
Štrajbl M, Florián J. Ab initio investigation of the molecular structure of methyl methoxymethyl phosphonate, a promising nuclease-resistant alternative of the phosphodiester linkage. Journal of Biomolecular Structure & Dynamics. 13: 687-694. PMID 8906889 DOI: 10.1080/07391102.1996.10508881 |
0.374 |
|
| 1996 |
Sponer J, Florián J, Hobza P, Leszczynski J. Nonplanar DNA base pairs. Journal of Biomolecular Structure & Dynamics. 13: 827-33. PMID 8723777 DOI: 10.1080/07391102.1996.10508895 |
0.402 |
|
| 1996 |
Florián J, Baumruk V, Leszczyński J. IR and Raman Spectra, Tautomeric Stabilities, and Scaled Quantum Mechanical Force Fields of Protonated Cytosine† The Journal of Physical Chemistry. 100: 5578-5589. DOI: 10.1021/Jp953284W |
0.368 |
|
| 1996 |
Florián J, Baumruk V, Štrajbl M, Bednárová aL, Štěpánek J. Ir And Raman Spectra, Conformational Flexibility, And Scaled Quantum Mechanical Force Fields Of Sodium Dimethyl Phosphate And Dimethyl Phosphate Anion The Journal of Physical Chemistry. 100: 1559-1568. DOI: 10.1021/Jp9520299 |
0.388 |
|
| 1996 |
Florian J, Leszczynski J. Spontaneous DNA mutations induced by proton transfer in the guanine.cytosine base pairs: An energetic perspective Journal of the American Chemical Society. 118: 3010-3017. DOI: 10.1021/Ja951983G |
0.41 |
|
| 1996 |
Kubelková L, Kotrla J, Florián J, Bolom T, Fraissard J, Heenribout L, Doremieux-Morin C. Activation of alcohols and ketones by surface hydroxyls of strong solid acids Studies in Surface Science and Catalysis. 101: 761-770. DOI: 10.1016/S0167-2991(96)80287-4 |
0.329 |
|
| 1995 |
Florian J, Leszczynski J. Theoretical investigation of the molecular structure of the ttk dna base pair Journal of Biomolecular Structure and Dynamics. 12: 1055-1062. PMID 7626240 DOI: 10.1080/07391102.1995.10508797 |
0.419 |
|
| 1995 |
Kotrla J, Florián J, Kubelková L, Fraissard J. Pyridinium Ions - New Probe for Basic Sites of Solid Acids Collection of Czechoslovak Chemical Communications. 60: 393-402. DOI: 10.1135/Cccc19950393 |
0.347 |
|
| 1995 |
Florián J, Leszczyński J, Scheiner S. Ab initiostudy of the structure of guanine-cytosine base pair conformers in gas phase and polar solvents Molecular Physics. 84: 469-480. DOI: 10.1080/00268979500100321 |
0.4 |
|
| 1995 |
Kubelkova L, Kotrla J, Florian J. H-Bonding and Interaction Energy of Acetonitrile Neutral and Pyridine Ion-Pair Surface Complexes in Zeolites of Various Acidity: FTIR and ab Initio Study The Journal of Physical Chemistry. 99: 10285-10293. DOI: 10.1021/J100025A033 |
0.363 |
|
| 1995 |
Florián J, Kubelková L, Kotrla J. Vibrational spectra of hydrogen-bonded complexes on zeolite surfaces as a benchmark for evaluating performance of ab initio methods. Complex with the pyridinium ion Journal of Molecular Structure. 349: 435-438. DOI: 10.1016/0022-2860(95)08802-3 |
0.39 |
|
| 1995 |
Florián J, Leszczynski J, Johnson BG. On the intermolecular vibrational modes of the guanine⋯cytosine, adenine⋯thymine and formamide⋯formamide H-bonded dimers Journal of Molecular Structure. 349: 421-426. DOI: 10.1016/0022-2860(95)08799-2 |
0.377 |
|
| 1995 |
Johnson BG, Florián J. The prediction of Raman spectra by density functional theory. Preliminary findings Chemical Physics Letters. 247: 120-125. DOI: 10.1016/0009-2614(95)01186-9 |
0.316 |
|
| 1994 |
Florian J, Hrouda V, Hobza P. Proton Transfer in the Adenine-Thymine Base Pair Journal of the American Chemical Society. 116: 1457-1460. DOI: 10.1021/Ja00083A034 |
0.416 |
|
| 1994 |
Florian J, Kubelkova L. Proton Transfer between H-Zeolite and Adsorbed Acetone or Acetonitrile: Quantum Chemical and FTIR Study The Journal of Physical Chemistry. 98: 8734-8741. DOI: 10.1021/J100086A024 |
0.335 |
|
| 1994 |
Hrouda V, Florian J, Polasek M, Hobza P. Double Proton Transfer: From the Formamide Dimer to the Adenine.cntdot..cntdot..cntdot.Thymine Base Pair The Journal of Physical Chemistry. 98: 4742-4747. DOI: 10.1021/J100068A042 |
0.407 |
|
| 1994 |
Florian J, Johnson BG. Comparison and Scaling of Hartree-Fock and Density Functional Harmonic Force Fields. 1. Formamide Monomer The Journal of Physical Chemistry. 98: 3681-3687. DOI: 10.1021/J100065A023 |
0.329 |
|
| 1994 |
FloriáN J, Scheiner S. Variation of atomic charges during proton transfer in hydrogen bonds Journal of Computational Chemistry. 15: 553-560. DOI: 10.1002/Jcc.540150507 |
0.336 |
|
| 1993 |
Florian J. Scaled quantum mechanical force fields and vibrational spectra of solid-state nucleic acid constituents. 6. Guanine and guanine residue The Journal of Physical Chemistry. 97: 10649-10658. DOI: 10.1021/J100143A021 |
0.346 |
|
| 1993 |
Hrouda V, Florian J, Hobza P. Structure, energetics, and harmonic vibrational spectra of the adenine-thymine and adenine*-thymine* base pairs: gradient nonempirical and semiempirical study The Journal of Physical Chemistry. 97: 1542-1557. DOI: 10.1021/J100110A015 |
0.402 |
|
| 1993 |
Florián J, Hrouda V. Scaled quantum mechanical force fields and vibrational spectra of solid state nucleic acid constituents V : thymine and uracil Spectrochimica Acta Part a: Molecular and Biomolecular Spectroscopy. 49: 921-938. DOI: 10.1016/0584-8539(93)80211-R |
0.329 |
|
| 1993 |
Florián J. Evaluation of scaled quantum mechanical methods of interpretation of solid state nucleic acid bases vibrational spectra Journal of Molecular Structure. 294: 25-28. DOI: 10.1016/0022-2860(93)80306-G |
0.33 |
|
| 1992 |
Florian J, Baumruk V. Scaled quantum mechanical force fields and vibrational spectra of solid state nucleic acid constituents. 4. N7-Protonated guanine The Journal of Physical Chemistry. 96: 9283-9287. DOI: 10.1021/J100202A041 |
0.321 |
|
| 1992 |
Florian J, Mojzes P, Stepanek J. Scaled quantum mechanical force fields and vibrational spectra of solid-state nucleic acid constituents. 3. 2-Aminoadenine The Journal of Physical Chemistry. 96: 9278-9282. DOI: 10.1021/J100202A040 |
0.32 |
|
| 1992 |
Florián J. Scaled quantum mechanical force fields and interpretation of vibrational spectra of differently protonated adenine Journal of Molecular Structure-Theochem. 253: 83-100. DOI: 10.1016/0166-1280(92)87099-L |
0.342 |
|
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