Search results
- 1.0360474 - ÚOCHB 2012 RIV DE eng J - Journal Article
Yamamoto, Shigeki - Watarai, H. - Bouř, Petr
Monitoring the Backbone Conformation of Valinomycin by Raman Optical Activity.
ChemPhysChem. Roč. 12, č. 8 (2011), s. 1509-1518. ISSN 1439-4235. E-ISSN 1439-7641
R&D Projects: GA AV ČR IAA400550702; GA ČR GAP208/11/0105
Grant - others:AV ČR(CZ) M200550902
Institutional research plan: CEZ:AV0Z40550506
Keywords : raman optical activity * backbone conformation * valinomycin
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.412, year: 2011
Permanent Link: http://hdl.handle.net/11104/0198018 - 2.0359110 - ÚOCHB 2012 RIV US eng J - Journal Article
Kaminský, Jakub - Kubelka, J. - Bouř, Petr
Theoretical Modeling of Peptide .alpha.-Helical Circular Dichroism in Aqueous Solution.
Journal of Physical Chemistry A. Roč. 115, č. 9 (2011), s. 1734-1742. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA AV ČR IAA400550702; GA ČR GPP208/10/P356; GA ČR GAP208/11/0105
Grant - others:AV ČR(CZ) M200550902
Institutional research plan: CEZ:AV0Z40550506
Keywords : circular dichroism * DFT * transition dipole coupling
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.946, year: 2011
Permanent Link: http://hdl.handle.net/11104/0006425 - 3.0359011 - ÚOCHB 2012 RIV US eng J - Journal Article
Kaminský, Jakub - Bouř, Petr - Kubelka, J.
Simulations of the Temperature Dependence of Amide I Vibration.
Journal of Physical Chemistry A. Roč. 115, č. 1 (2011), s. 30-34. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA AV ČR IAA400550702; GA ČR GPP208/10/P356
Grant - others:AV ČR(CZ) M200550902; NSF(US) CAREER 0846140
Institutional research plan: CEZ:AV0Z40550506
Keywords : IR * peptides * simulations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.946, year: 2011
Permanent Link: http://hdl.handle.net/11104/0006418 - 4.0352921 - ÚOCHB 2011 RIV US eng J - Journal Article
Andrushchenko, Valery - Bouř, Petr
Applications of the Cartesian Coordinate Tensor Transfer Technique in the Simulations of Vibrational Circular Dichroism Spectra of Oligonucleotides.
Chirality. Roč. 22, 1E (2010), E96-E114. ISSN 0899-0042. E-ISSN 1520-636X
R&D Projects: GA ČR GA203/01/0031; GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA4055104; GA AV ČR IAA400550702; GA AV ČR IAA400550701; GA ČR GAP208/10/0559
Institutional research plan: CEZ:AV0Z40550506
Keywords : vibrational circular dichroism * nucleic acids * peptides * ab initio
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.892, year: 2010
Permanent Link: http://hdl.handle.net/11104/0192308 - 5.0348939 - ÚOCHB 2011 RIV GB eng J - Journal Article
Yamamoto, Shigeki - Straka, Michal - Watarai, H. - Bouř, Petr
Formation and structure of the potassium complex of valinomycin in solution studied by Raman optical activity spectroscopy.
Physical Chemistry Chemical Physics. Roč. 12, č. 36 (2010), s. 11021-11032. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA AV ČR IAA400550702; GA ČR GA203/09/2037
Grant - others:AV ČR(CZ) M200550902
Institutional research plan: CEZ:AV0Z40550506
Keywords : Raman optical activity * valynimycin * DFT * conformational search * ab initio
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.454, year: 2010
Permanent Link: http://hdl.handle.net/11104/0189319 - 6.0348930 - ÚOCHB 2011 RIV DE eng J - Journal Article
Gauger, D. R. - Andrushchenko, Valery - Bouř, Petr - Pohle, W.
A spectroscopic method to estimate the binding potency of amphiphile assemblies.
Analytical and Bioanalytical Chemistry. Roč. 398, č. 2 (2010), s. 1109-1123. ISSN 1618-2642. E-ISSN 1618-2650
R&D Projects: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA ČR GAP208/10/0559; GA AV ČR IAA400550702; GA AV ČR IAA400550701
Institutional research plan: CEZ:AV0Z40550506
Keywords : miccels * amphiphile assemblies * molecular dynamics * infrared spectroscopy
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.841, year: 2010
Permanent Link: http://hdl.handle.net/11104/0189312 - 7.0346353 - ÚOCHB 2011 RIV US eng J - Journal Article
Parchaňský, V. - Bouř, Petr
Transferability of anharmonic force fields in simulations of molecular vibrations.
Journal of Chemical Physics. Roč. 133, č. 4 (2010), 044117/1-044117/10. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA AV ČR IAA400550702
Institutional research plan: CEZ:AV0Z40550506
Keywords : ab initio * anharmonic force fiels * vibrations * transferability
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.920, year: 2010
Permanent Link: http://hdl.handle.net/11104/0187405 - 8.0345980 - ÚOCHB 2011 RIV US eng J - Journal Article
Hudecová, J. - Kapitán, Josef - Baumruk, V. - Hammer, R. P. - Keiderling, T. A. - Bouř, Petr
Side Chain and Flexibility Contributions to the Raman Optical Activity Spectra of a Model Cyclic Hexapeptide.
Journal of Physical Chemistry A. Roč. 114, č. 28 (2010), s. 7642-7651. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA400550702
Grant - others:GA UK(CZ) 126310
Institutional research plan: CEZ:AV0Z40550506
Keywords : Raman optical activity * ab initio * side chain * flexibility * peptide
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.732, year: 2010
Permanent Link: http://hdl.handle.net/11104/0005964 - 9.0345973 - ÚOCHB 2011 RIV US eng J - Journal Article
Ivani, I. - Baumruk, V. - Bouř, Petr
A Fourier Transform Method for Generation of Anharmonic Vibrational Molecular Spectra.
Journal of Chemical Theory and Computation. Roč. 6, č. 7 (2010), s. 2095-2102. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR GA202/07/0732; GA AV ČR IAA400550702
Institutional research plan: CEZ:AV0Z40550506
Keywords : Fourier transformation * vibrational spectroscopy * diagonalization
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.138, year: 2010
Permanent Link: http://hdl.handle.net/11104/0187124 - 10.0343973 - ÚOCHB 2011 RIV US eng J - Journal Article
Kaminský, Jakub - Raich, I. - Tomčáková, K. - Bouř, Petr
Conformational Behavior of Simple Furanosides Studied by Optical Rotation.
Journal of Computational Chemistry. Roč. 31, č. 11 (2010), s. 2213-2224. ISSN 0192-8651. E-ISSN 1096-987X
R&D Projects: GA AV ČR IAA400550702; GA ČR GPP208/10/P356
Institutional research plan: CEZ:AV0Z40550506
Keywords : optical rotation * DFT * furanosides
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.050, year: 2010
Permanent Link: http://hdl.handle.net/11104/0186320