| Year |
Citation |
Score |
| 2022 |
Ratini L, Capecci C, Benfenati F, Guidoni L. Wave Function Adapted Hamiltonians for Quantum Computing. Journal of Chemical Theory and Computation. 18: 899-909. PMID 35041784 DOI: 10.1021/acs.jctc.1c01170 |
0.492 |
|
| 2021 |
Benfenati F, Mazzola G, Capecci C, Barkoutsos PK, Ollitrault PJ, Tavernelli I, Guidoni L. Improved Accuracy on Noisy Devices by Nonunitary Variational Quantum Eigensolver for Chemistry Applications. Journal of Chemical Theory and Computation. PMID 34077220 DOI: 10.1021/acs.jctc.1c00091 |
0.468 |
|
| 2020 |
Cappelluti F, Bencivenni L, Guidoni L. Spin-symmetrised structures and vibrational frequencies of iron-sulfur clusters. Physical Chemistry Chemical Physics : Pccp. 22: 16655-16664. PMID 32667376 DOI: 10.1039/D0Cp01591A |
0.355 |
|
| 2020 |
Frezzini M, Narzi D, Sciolari AM, Guidoni L, Pascarella S. Molecular dynamics of an asymmetric form of GabR, a bacterial transcriptional regulator. Biophysical Chemistry. 262: 106380. PMID 32413777 DOI: 10.1016/J.Bpc.2020.106380 |
0.311 |
|
| 2020 |
Capone M, Guidoni L, Narzi D. Structural and dynamical characterization of the S4 state of the Kok-Joliot’s cycle by means of QM/MM Molecular Dynamics Simulations Chemical Physics Letters. 742: 137111. DOI: 10.1016/J.Cplett.2020.137111 |
0.416 |
|
| 2019 |
Nakamura S, Capone M, Narzi D, Guidoni L. Pivotal role of the redox-active tyrosine in driving the water splitting catalyzed by photosystem II. Physical Chemistry Chemical Physics : Pccp. PMID 31808768 DOI: 10.1039/C9Cp04605D |
0.368 |
|
| 2019 |
Tichengulova A, Capone M, Pitari F, Guidoni L. Molecular vibrations of Oxygen-Evolving Complex and its synthetic mimic. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31340068 DOI: 10.1002/Chem.201902621 |
0.368 |
|
| 2019 |
Capone M, Narzi D, Tychengulova A, Guidoni L. On the comparison between differential vibrational spectroscopy spectra and theoretical data in the carboxyl region of Photosystem II. Physiologia Plantarum. PMID 30801735 DOI: 10.1111/Ppl.12949 |
0.38 |
|
| 2019 |
Pasquini C, Zaharieva I, Gonzalez-Flores D, Chernev P, Mohammadi MR, Guidoni L, Smith RDL, Dau H. H/D isotope effects reveal factors controlling catalytic activity in Co-based oxides for water oxidation. Journal of the American Chemical Society. PMID 30650965 DOI: 10.1021/Jacs.8B10002 |
0.334 |
|
| 2018 |
Narzi D, Capone M, Bovi D, Guidoni L. Evolution from S to S States of the Oxygen-Evolving Complex in Photosystem II Monitored by Quantum Mechanics/Molecular Mechanics (QM/MM) Dynamics. Chemistry (Weinheim An Der Bergstrasse, Germany). 24: 10820-10828. PMID 29660163 DOI: 10.1002/Chem.201801709 |
0.429 |
|
| 2018 |
Corinti D, Gregori B, Guidoni L, Scuderi D, McMahon TB, Chiavarino B, Fornarini S, Crestoni ME. Complexation of halide ions to tyrosine: role of non-covalent interactions evidenced by IRMPD spectroscopy. Physical Chemistry Chemical Physics : Pccp. 20: 4429-4441. PMID 29372198 DOI: 10.1039/C7Cp06657K |
0.368 |
|
| 2017 |
Milano T, Gulzar A, Narzi D, Guidoni L, Pascarella S. Molecular dynamics simulation unveils the conformational flexibility of the interdomain linker in the bacterial transcriptional regulator GabR from Bacillus subtilis bound to pyridoxal 5'-phosphate. Plos One. 12: e0189270. PMID 29253008 DOI: 10.1371/Journal.Pone.0189270 |
0.336 |
|
| 2017 |
Chu S, Bovi D, Cappelluti F, Orellana AG, Martin H, Guidoni L. The effects of static correlation between spin centers in Multi-Center Transition Metal Complexes. Journal of Chemical Theory and Computation. PMID 28763210 DOI: 10.1021/Acs.Jctc.7B00316 |
0.38 |
|
| 2017 |
Coccia E, Varsano D, Guidoni L. Theoretical S ← S Absorption Energies of the Anionic Forms of Oxyluciferin by Variational Monte Carlo and Many-Body Green's Function Theory. Journal of Chemical Theory and Computation. 13: 4357-4367. PMID 28753277 DOI: 10.1021/Acs.Jctc.7B00505 |
0.437 |
|
| 2017 |
Narzi D, Coccia E, Manzoli M, Guidoni L. Impact of molecular flexibility on the site energy shift of chlorophylls in Photosystem II. Biophysical Chemistry. 229: 93-98. PMID 28711348 DOI: 10.1016/J.Bpc.2017.06.013 |
0.379 |
|
| 2017 |
Narzi D, Mattioli G, Bovi D, Guidoni L. A Spotlight on the Compatibility between XFEL and Ab Initio Structures of the Oxygen Evolving Complex in Photosystem II. Chemistry (Weinheim An Der Bergstrasse, Germany). 23: 6969-6973. PMID 28342185 DOI: 10.1002/Chem.201700722 |
0.391 |
|
| 2017 |
Gregori B, Guidoni L, Crestoni ME, de Oliveira P, Houée-Levin C, Scuderi D. One Electron Oxidation of Methionine-Containing Dipeptides of Reverse Sequence: Sulfur Versus Sulfoxide Characterized by IRMPD Spectroscopy, Static and Dynamics DFT Simulations. The Journal of Physical Chemistry. B. PMID 28194975 DOI: 10.1021/Acs.Jpcb.6B12638 |
0.34 |
|
| 2017 |
Campetella M, Bovi D, Caminiti R, Guidoni L, Bencivenni L, Gontrani L. Structural and vibrational study of 2-MethoxyEthylAmmonium Nitrate (2-OMeEAN): Interpretation of experimental results with ab initio molecular dynamics. The Journal of Chemical Physics. 145: 024507. PMID 27421420 DOI: 10.1063/1.4956459 |
0.402 |
|
| 2016 |
Barborini M, Guidoni L. Geometries of low spin states of multi-centre transition metal complexes through extended broken symmetry variational Monte Carlo. The Journal of Chemical Physics. 145: 124107. PMID 27782628 DOI: 10.1063/1.4963015 |
0.382 |
|
| 2016 |
Chu S, Coccia E, Barborini M, Guidoni L. The role of Electron Correlation along the Water Splitting Reaction. Journal of Chemical Theory and Computation. PMID 27749070 DOI: 10.1021/Acs.Jctc.6B00632 |
0.402 |
|
| 2016 |
Bovi D, Capone M, Narzi D, Guidoni L. Vibrational fingerprints of the Mn4CaO5 cluster in Photosystem II by mixed quantum-classical molecular dynamics. Biochimica Et Biophysica Acta. PMID 27444240 DOI: 10.1016/J.Bbabio.2016.07.004 |
0.399 |
|
| 2016 |
Capone M, Narzi D, Bovi D, Guidoni L. Mechanism of Water Delivery to the Active Site of Photosystem II along the S(2) to S(3) Transition. The Journal of Physical Chemistry Letters. 7: 592-6. PMID 26799278 DOI: 10.1021/Acs.Jpclett.5B02851 |
0.362 |
|
| 2016 |
Narzi D, Bovi D, De Gaetano P, Guidoni L. Dynamics of the Special Pair of Chlorophylls of Photosystem II. Journal of the American Chemical Society. 138: 257-64. PMID 26587662 DOI: 10.1021/Jacs.5B10523 |
0.334 |
|
| 2016 |
Bovi D, Mezzetti A, Guidoni L. QM/MM dynamics of a Peridinin model in triplet state in three prototypical solvents Vibrational Spectroscopy. 87: 182-192. DOI: 10.1016/J.Vibspec.2016.07.010 |
0.425 |
|
| 2015 |
Sessa F, D'Angelo P, Guidoni L, Migliorati V. Hidden Hydration Structure of Halide Ions: an Insight into the Importance of Lone Pairs. The Journal of Physical Chemistry. B. 119: 15729-37. PMID 26629711 DOI: 10.1021/Acs.Jpcb.5B10636 |
0.364 |
|
| 2015 |
Barborini M, Guidoni L. π-Conjugation in trans-1,3-butadiene: static and dynamical electronic correlations described through quantum Monte Carlo. Journal of Chemical Theory and Computation. 11: 508-17. PMID 26580909 DOI: 10.1021/Ct501157F |
0.36 |
|
| 2015 |
Capone M, Bovi D, Narzi D, Guidoni L. Reorganization of substrate waters between the closed and open cubane conformers during the S2 to S3 transition in the oxygen evolving complex. Biochemistry. 54: 6439-42. PMID 26466193 DOI: 10.1021/Acs.Biochem.5B00782 |
0.394 |
|
| 2015 |
Barborini M, Guidoni L. Ground State Geometries of Polyacetylene Chains from Many-Particle Quantum Mechanics. Journal of Chemical Theory and Computation. 11: 4109-18. PMID 26405437 DOI: 10.1021/Acs.Jctc.5B00427 |
0.44 |
|
| 2015 |
Pitari F, Bovi D, Narzi D, Guidoni L. Characterization of the Sr(2+)- and Cd(2+)-Substituted Oxygen-Evolving Complex of Photosystem II by Quantum Mechanics/Molecular Mechanics Calculations. Biochemistry. 54: 5959-68. PMID 26346422 DOI: 10.1021/Acs.Biochem.5B00797 |
0.416 |
|
| 2015 |
Mattioli G, Zaharieva I, Dau H, Guidoni L. Atomistic Texture of Amorphous Manganese Oxides for Electrochemical Water Splitting Revealed by Ab Initio Calculations Combined with X-ray Spectroscopy. Journal of the American Chemical Society. 137: 10254-67. PMID 26226190 DOI: 10.1021/Jacs.5B05174 |
0.359 |
|
| 2015 |
Zen A, Luo Y, Mazzola G, Guidoni L, Sorella S. Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo. The Journal of Chemical Physics. 142: 144111. PMID 25877566 DOI: 10.1063/1.4917171 |
0.41 |
|
| 2015 |
Zen A, Coccia E, Gozem S, Olivucci M, Guidoni L. Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal Model. Journal of Chemical Theory and Computation. 11: 992-1005. PMID 25821414 DOI: 10.1021/Ct501122Z |
0.442 |
|
| 2015 |
Fraschetti C, Montagna M, Guarcini L, Guidoni L, Filippi A. Spectroscopic evidence for a gas-phase librating G-quartet-Na(+) complex. Chemical Communications (Cambridge, England). 50: 14767-70. PMID 25317693 DOI: 10.1039/C4Cc05149A |
0.333 |
|
| 2015 |
Zhang C, Guidoni L, Kühne TD. Competing factors on the frequency separation between the OH stretching modes in water Journal of Molecular Liquids. 205: 42-45. DOI: 10.1016/J.Molliq.2014.09.049 |
0.308 |
|
| 2014 |
Zen A, Coccia E, Luo Y, Sorella S, Guidoni L. Static and Dynamical Correlation in Diradical Molecules by Quantum Monte Carlo Using the Jastrow Antisymmetrized Geminal Power Ansatz. Journal of Chemical Theory and Computation. 10: 1048-61. PMID 26580182 DOI: 10.1021/Ct401008S |
0.394 |
|
| 2014 |
Coccia E, Varsano D, Guidoni L. Ab Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green's Function Theory Calculations on Peridinin. Journal of Chemical Theory and Computation. 10: 501-6. PMID 26580027 DOI: 10.1021/Ct400943A |
0.41 |
|
| 2014 |
Gregori B, Guidoni L, Chiavarino B, Scuderi D, Nicol E, Frison G, Fornarini S, Crestoni ME. Vibrational signatures of S-nitrosoglutathione as gaseous, protonated species. The Journal of Physical Chemistry. B. 118: 12371-82. PMID 25274121 DOI: 10.1021/Jp5072742 |
0.338 |
|
| 2014 |
Zhang C, Naziga EB, Guidoni L. Asymmetric environmental effects on the structure and vibrations of cis-[Pt(NH3)2Cl2] in condensed phases. The Journal of Physical Chemistry. B. 118: 11487-95. PMID 25144652 DOI: 10.1021/Jp500865V |
0.355 |
|
| 2014 |
Zen A, Trout BL, Guidoni L. Properties of reactive oxygen species by quantum Monte Carlo. The Journal of Chemical Physics. 141: 014305. PMID 25005287 DOI: 10.1063/1.4885144 |
0.404 |
|
| 2014 |
Narzi D, Bovi D, Guidoni L. Pathway for Mn-cluster oxidation by tyrosine-Z in the S2 state of photosystem II. Proceedings of the National Academy of Sciences of the United States of America. 111: 8723-8. PMID 24889635 DOI: 10.1073/Pnas.1401719111 |
0.396 |
|
| 2014 |
Kish E, Mendes Pinto MM, Bovi D, Basire M, Guidoni L, Vuilleumier R, Robert B, Spezia R, Mezzetti A. Fermi resonance as a tool for probing peridinin environment. The Journal of Physical Chemistry. B. 118: 5873-81. PMID 24754506 DOI: 10.1021/Jp501667T |
0.321 |
|
| 2014 |
Varsano D, Barborini M, Guidoni L. Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities. The Journal of Chemical Physics. 140: 054102. PMID 24511917 DOI: 10.1063/1.4863213 |
0.372 |
|
| 2014 |
Bovi D, Narzi D, Guidoni L. Magnetic interactions in the catalyst used by nature to split water: a DFT +Umultiscale study on the Mn4CaO5core in photosystem II New Journal of Physics. 16: 015020. DOI: 10.1088/1367-2630/16/1/015020 |
0.389 |
|
| 2014 |
Montagna M, Ricci G, Leone G, Masi F, Guidoni L. The origin of the chemoselectivity in the Cp2TiCl2/MAO catalyst for the polymerization of 1,3-butadiene explored by Density Functional Theory Materials Today Communications. 1: 42-47. DOI: 10.1016/J.Mtcomm.2014.09.004 |
0.361 |
|
| 2014 |
Varsano D, Coccia E, Pulci O, Conte AM, Guidoni L. Ground state structures and electronic excitations of biological chromophores at Quantum Monte Carlo/Many Body Green's Function Theory level Computational and Theoretical Chemistry. 1040: 338-346. DOI: 10.1016/J.Comptc.2014.03.011 |
0.446 |
|
| 2013 |
Coccia E, Varsano D, Guidoni L. Protein Field Effect on the Dark State of 11- Retinal in Rhodopsin by Quantum Monte Carlo/Molecular Mechanics. Journal of Chemical Theory and Computation. 9: 8-12. PMID 24611033 DOI: 10.1021/Ct3007502 |
0.402 |
|
| 2013 |
Zen A, Luo Y, Sorella S, Guidoni L. Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule. Journal of Chemical Theory and Computation. 9: 4332-4350. PMID 24526929 DOI: 10.1021/Ct400382M |
0.399 |
|
| 2013 |
Bovi D, Narzi D, Guidoni L. The S2 state of the oxygen-evolving complex of photosystem II explored by QM/MM dynamics: spin surfaces and metastable states suggest a reaction path towards the S3 state. Angewandte Chemie (International Ed. in English). 52: 11744-11749. PMID 24115467 DOI: 10.1002/Anie.201306667 |
0.384 |
|
| 2013 |
Mattioli G, Giannozzi P, Amore Bonapasta A, Guidoni L. Reaction pathways for oxygen evolution promoted by cobalt catalyst. Journal of the American Chemical Society. 135: 15353-63. PMID 24044778 DOI: 10.1021/Ja401797V |
0.344 |
|
| 2013 |
Bovi D, Guidoni L. Magnetic coupling constants and vibrational frequencies by extended broken symmetry approach with hybrid functionals. The Journal of Chemical Physics. 137: 114107. PMID 22998249 DOI: 10.1063/1.4752398 |
0.399 |
|
| 2013 |
Zhang C, Khaliullin RZ, Bovi D, Guidoni L, Kühne TD. Vibrational signature of water molecules in asymmetric hydrogen bonding environments Journal of Physical Chemistry Letters. 4: 3245-3250. DOI: 10.1021/Jz401321X |
0.325 |
|
| 2013 |
Filippi A, Fraschetti C, Rondino F, Piccirillo S, Steinmetz V, Guidoni L, Speranza M. Protonated pyrimidine nucleosides probed by IRMPD spectroscopy International Journal of Mass Spectrometry. 54-61. DOI: 10.1016/J.Ijms.2013.05.016 |
0.339 |
|
| 2013 |
Conte AM, Violante C, Missori M, Bechstedt F, Teodonio L, Ippoliti E, Carloni P, Guidoni L, Pulci O. Theoretical optical spectroscopy of complex systems Journal of Electron Spectroscopy and Related Phenomena. 189: 46-55. DOI: 10.1016/J.Elspec.2013.02.002 |
0.347 |
|
| 2012 |
Coccia E, Chernomor O, Barborini M, Sorella S, Guidoni L. Molecular Electrical Properties from Quantum Monte Carlo Calculations: Application to Ethyne. Journal of Chemical Theory and Computation. 8: 1952-62. PMID 26593830 DOI: 10.1021/Ct300171Q |
0.403 |
|
| 2012 |
Filippi C, Buda F, Guidoni L, Sinicropi A. Bathochromic Shift in Green Fluorescent Protein: A Puzzle for QM/MM Approaches. Journal of Chemical Theory and Computation. 8: 112-24. PMID 26592874 DOI: 10.1021/Ct200704K |
0.419 |
|
| 2012 |
Barborini M, Sorella S, Guidoni L. Structural Optimization by Quantum Monte Carlo: Investigating the Low-Lying Excited States of Ethylene. Journal of Chemical Theory and Computation. 8: 1260-1269. PMID 24634617 DOI: 10.1021/Ct200724Q |
0.415 |
|
| 2012 |
Zen A, Zhelyazov D, Guidoni L. Optimized Structure and Vibrational Properties by Error Affected Potential Energy Surfaces. Journal of Chemical Theory and Computation. 8: 4204-4215. PMID 24093004 DOI: 10.1021/Ct300576N |
0.372 |
|
| 2012 |
Barborini M, Guidoni L. Reaction pathways by quantum Monte Carlo: insight on the torsion barrier of 1,3-butadiene, and the conrotatory ring opening of cyclobutene. The Journal of Chemical Physics. 137: 224309. PMID 23249005 DOI: 10.1063/1.4769791 |
0.415 |
|
| 2012 |
Tanzi L, Ramondo F, Guidoni L. Vibrational spectra of water solutions of azoles from QM/MM calculations: effects of solvation. The Journal of Physical Chemistry. A. 116: 10160-71. PMID 23004913 DOI: 10.1021/Jp3045059 |
0.364 |
|
| 2012 |
Montagna M, Sterpone F, Guidoni L. Structural and spectroscopic properties of water around small hydrophobic solutes. The Journal of Physical Chemistry. B. 116: 11695-700. PMID 22946539 DOI: 10.1021/Jp303213M |
0.377 |
|
| 2012 |
Coccia E, Guidoni L. Quantum Monte Carlo study of the Retinal Minimal Model C5H6NH2+. Journal of Computational Chemistry. 33: 2332-9. PMID 22806608 DOI: 10.1002/Jcc.23071 |
0.388 |
|
| 2011 |
Bovi D, Mezzetti A, Vuilleumier R, Gaigeot MP, Chazallon B, Spezia R, Guidoni L. Environmental effects on vibrational properties of carotenoids: experiments and calculations on peridinin. Physical Chemistry Chemical Physics : Pccp. 13: 20954-64. PMID 21946923 DOI: 10.1039/C1Cp21985E |
0.339 |
|
| 2011 |
Mattioli G, Risch M, Amore Bonapasta A, Dau H, Guidoni L. Protonation states in a cobalt-oxide catalyst for water oxidation: fine comparison of ab initio molecular dynamics and X-ray absorption spectroscopy results. Physical Chemistry Chemical Physics : Pccp. 13: 15437-41. PMID 21808773 DOI: 10.1039/C1Cp21776C |
0.359 |
|
| 2011 |
Conte AM, Guidoni L, Del Sole R, Pulci O. Many-body study of the photoisomerization of the minimal model of the retinal protonated Schiff base Chemical Physics Letters. 515: 290-295. DOI: 10.1016/J.Cplett.2011.09.041 |
0.369 |
|
| 2010 |
Babiaczyk WI, Bonella S, Guidoni L, Ciccotti G. Hydration structure of the quaternary ammonium cations. The Journal of Physical Chemistry. B. 114: 15018-28. PMID 21028872 DOI: 10.1021/Jp106282W |
0.357 |
|
| 2010 |
Bucher D, Guidoni L, Carloni P, Rothlisberger U. Coordination numbers of K(+) and Na(+) Ions inside the selectivity filter of the KcsA potassium channel: insights from first principles molecular dynamics. Biophysical Journal. 98: L47-9. PMID 20483308 DOI: 10.1016/J.Bpj.2010.01.064 |
0.303 |
|
| 2010 |
D'Angelo P, Migliorati V, Guidoni L. Hydration properties of the bromide aqua ion: the interplay of first principle and classical molecular dynamics, and X-ray absorption spectroscopy. Inorganic Chemistry. 49: 4224-31. PMID 20384288 DOI: 10.1021/Ic9025574 |
0.424 |
|
| 2010 |
Colombo MC, Guidoni L, Laio A, Magistrato A, Maurer P, Piana S, Rohrig U, Spiegel K, Sulpizi M, VandeVondele J, et al. ea. ChemInform Abstract: Hybrid QM/MM Car-Parrinello Simulations of Catalytic and Enzymatic Reactions Cheminform. 33: no-no. DOI: 10.1002/CHIN.200247276 |
0.534 |
|
| 2009 |
Bucher D, Guidoni L, Maurer P, Rothlisberger U. Developing Improved Charge Sets for the Modeling of the KcsA K(+) Channel Using QM/MM Electrostatic Potentials. Journal of Chemical Theory and Computation. 5: 2173-9. PMID 26613156 DOI: 10.1021/Ct9001619 |
0.329 |
|
| 2009 |
González EM, Guidoni L, Molteni C. Chemical and protein shifts in the spectrum of the photoactive yellow protein: a time-dependent density functional theory/molecular mechanics study. Physical Chemistry Chemical Physics : Pccp. 11: 4556-63. PMID 19475175 DOI: 10.1039/B902615K |
0.372 |
|
| 2009 |
Guidoni L, Gontrani L, Bencivenni L, Sadun C, Ballirano P. Overcoming the inadequacy of X-ray powder diffraction in reliable hydrogen location with the aid of first principles calculations: crystal structure determination of orotaldehyde monohydrate. The Journal of Physical Chemistry. A. 113: 353-9. PMID 19086793 DOI: 10.1021/Jp809076T |
0.301 |
|
| 2008 |
Sterpone F, Spanu L, Ferraro L, Sorella S, Guidoni L. Dissecting the Hydrogen Bond: A Quantum Monte Carlo Approach. Journal of Chemical Theory and Computation. 4: 1428-34. PMID 26621429 DOI: 10.1021/Ct800121E |
0.372 |
|
| 2008 |
Colombo MC, Vandevondele J, Van Doorslaer S, Laio A, Guidoni L, Rothlisberger U. Copper binding sites in the C-terminal domain of mouse prion protein: A hybrid (QM/MM) molecular dynamics study. Proteins. 70: 1084-98. PMID 17876822 DOI: 10.1002/Prot.21604 |
0.591 |
|
| 2007 |
Bucher D, Guidoni L, Rothlisberger U. The protonation state of the Glu-71/Asp-80 residues in the KcsA potassium channel: a first-principles QM/MM molecular dynamics study. Biophysical Journal. 93: 2315-24. PMID 17526559 DOI: 10.1529/Biophysj.106.102509 |
0.383 |
|
| 2007 |
Leenders EJ, Guidoni L, Röthlisberger U, Vreede J, Bolhuis PG, Meijer EJ. Protonation of the chromophore in the photoactive yellow protein. The Journal of Physical Chemistry. B. 111: 3765-73. PMID 17388542 DOI: 10.1021/Jp067158B |
0.399 |
|
| 2006 |
Bucher D, Raugei S, Guidoni L, Dal Peraro M, Rothlisberger U, Carloni P, Klein ML. Polarization effects and charge transfer in the KcsA potassium channel. Biophysical Chemistry. 124: 292-301. PMID 16737771 DOI: 10.1016/J.Bpc.2006.04.008 |
0.45 |
|
| 2005 |
Guidoni L, Rothlisberger U. Scanning Reactive Pathways with Orbital Biased Molecular Dynamics. Journal of Chemical Theory and Computation. 1: 554-60. PMID 26641675 DOI: 10.1021/Ct050081V |
0.361 |
|
| 2005 |
Röhrig UF, Guidoni L, Rothlisberger U. Solvent and protein effects on the structure and dynamics of the rhodopsin chromophore. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 1836-47. PMID 16110519 DOI: 10.1002/Cphc.200500066 |
0.405 |
|
| 2005 |
Beni Z, Guidoni L, Laurenczy G, Roethlisberger U, Roulet R. Experimental and theoretical study of intramolecular exchange in Ir2Rh2(CO)12 and Ir4(CO)11(micro-SO2). Dalton Transactions (Cambridge, England : 2003). 310-4. PMID 15616719 DOI: 10.1039/B415147J |
0.706 |
|
| 2005 |
Moret M, Tapavicza E, Guidoni L, Röhrig UF, Sulpizi M, Tavernelli I, Rothlisberger U. Quantum Mechanical/Molecular Mechanical (QM/MM) Car-Parrinello Simulations in Excited States Chimia International Journal For Chemistry. 59: 493-498. DOI: 10.2533/000942905777676128 |
0.709 |
|
| 2004 |
Röhrig UF, Guidoni L, Laio A, Frank I, Rothlisberger U. A molecular spring for vision. Journal of the American Chemical Society. 126: 15328-9. PMID 15563129 DOI: 10.1021/Ja048265R |
0.597 |
|
| 2002 |
Guidoni L, Carloni P. Tetraethylammonium binding to the outer mouth of the KcsA potassium channel: implications for ion permeation. Journal of Receptor and Signal Transduction Research. 22: 315-31. PMID 12503624 DOI: 10.1081/Rrs-120014604 |
0.33 |
|
| 2002 |
Röhrig UF, Guidoni L, Rothlisberger U. Early steps of the intramolecular signal transduction in rhodopsin explored by molecular dynamics simulations. Biochemistry. 41: 10799-809. PMID 12196019 DOI: 10.1021/Bi026011H |
0.387 |
|
| 2002 |
Guidoni L, Carloni P. Potassium permeation through the KcsA channel: a density functional study. Biochimica Et Biophysica Acta. 1563: 1-6. PMID 12007618 DOI: 10.1016/S0005-2736(02)00349-8 |
0.359 |
|
| 2002 |
Colombo MC, Guidoni L, Laio A, Magistrato A, Maurer P, Piana S, Röhrig U, Spiegel K, Sulpizi M, VandeVondele J, Zumstein M, Röthlisberger U. Hybrid QM/MM Car-Parrinello Simulations of Catalytic and Enzymatic Reactions Chimia International Journal For Chemistry. 56: 13-19. DOI: 10.2533/000942902777680865 |
0.691 |
|
| 2002 |
Cascella M, Guidoni L, Maritan A, Rothlisberger U, Carloni P. Multiple Steering Molecular Dynamics Applied to Water Exchange at Alkali Ions The Journal of Physical Chemistry B. 106: 13027-13032. DOI: 10.1021/Jp026209B |
0.352 |
|
| 2002 |
Guidoni L, Maurer P, Piana S, Rothlisberger U. Hybrid Car-Parrinello/Molecular Mechanics Modelling of Transition Metal Complexes: Structure, Dynamics and Reactivity Quantitative Structure-Activity Relationships. 21: 119-127. DOI: 10.1002/1521-3838(200207)21:2<119::Aid-Qsar119>3.0.Co;2-B |
0.417 |
|
| 2000 |
Guidoni L, Torre V, Carloni P. Water and potassium dynamics inside the KcsA K(+) channel. Febs Letters. 477: 37-42. PMID 10899307 DOI: 10.1016/S0014-5793(00)01712-9 |
0.306 |
|
| 1999 |
Santoro G, Sorella S, Guidoni L, Parola A, Tosatti E. Spin-Liquid Ground State in a Two-Dimensional Nonfrustrated Spin Model Physical Review Letters. 83: 3065-3068. DOI: 10.1103/Physrevlett.83.3065 |
0.309 |
|
| 1999 |
Guidoni L, Santoro G, Sorella S, Parola A, Tosatti E. Spin gap in low-dimensional Mott insulators with orbital degeneracy Journal of Applied Physics. 85: 5327-5329. DOI: 10.1063/1.370241 |
0.334 |
|
| 1998 |
Cosentini AC, Capone M, Guidoni L, Bachelet GB. Phase separation in the two-dimensional Hubbard model: A fixed-node quantum Monte Carlo study Physical Review B. 58. DOI: 10.1103/Physrevb.58.R14685 |
0.305 |
|
| 1997 |
Santoro G, Guidoni L, Parola A, Tosatti E. Valence-bond states in dynamical Jahn-Teller molecular systems Physical Review B. 55: 16168-16175. DOI: 10.1103/Physrevb.55.16168 |
0.394 |
|
| Show low-probability matches. |