검색결과 : 70건
| No. | Article |
|---|---|
| 1 |
Interplay between Ionization and Tautomerism in Bioactive beta-Enamino Ester-Containing Cyclic Compounds: Study of Annulated 1,2,3,6-Tetrahydroazocine Derivatives Viayna A, Antermite SG, de Candia M, Altomare CD, Luque FJ Journal of Physical Chemistry B, 124(1), 28, 2020 |
| 2 |
Prediction of pH-Dependent Hydrophobic Profiles of Small Molecules from Miertus-Scrocco-Tomasi Continuum Solvation Calculations Zamora WJ, Curutchet C, Campanera JM, Luque FJ Journal of Physical Chemistry B, 121(42), 9868, 2017 |
| 3 |
Mechanism of the Pseudoirreversible Binding of Amantadine to the M2 Proton Channel Llabres S, Juarez-Jimenez J, Masetti M, Leiva R, Vazquez S, Gazzarrini S, Moroni A, Cavalli A, Luque FJ Journal of the American Chemical Society, 138(47), 15345, 2016 |
| 4 |
Enantiospecific Spin Polarization of Electrons Photoemitted Through Layers of Homochiral Organic Molecules Nino MA, Kowalik IA, Luque FJ, Arvanitis D, Miranda R, de Miguel JJ Advanced Materials, 26(44), 7474, 2014 |
| 5 |
Assessing the Accuracy and Performance of Implicit Solvent Models for Drug Molecules: Conformational Ensemble Approaches Kolar M, Fanfrlik J, Lepsik M, Forti F, Luque FJ, Hobza P Journal of Physical Chemistry B, 117(19), 5950, 2013 |
| 6 |
Structural, Dynamical, and Electronic Transport Properties of Modified DNA Duplexes Containing Size-Expanded Nucleobases Blas JR, Huertas O, Tabares C, Sumpter BG, Fuentes-Cabrera M, Orozco M, Ordejon P, Luque FJ Journal of Physical Chemistry A, 115(41), 11344, 2011 |
| 7 |
Histidine E7 Dynamics Modulates Ligand Exchange between Distal Pocket and Solvent in AHb(1) from Arabidopsis thaliana Spyrakis F, Faggiano S, Abbruzzetti S, Dominici P, Cacciatori E, Astegno A, Droghetti E, Feis A, Smulevich G, Bruno S, Mozzareli A, Cozzini P, Viappiani C, Bidon-Chanal A, Luque FJ Journal of Physical Chemistry B, 115(14), 4138, 2011 |
| 8 |
Ligand Migration in Methanosarcina acetivorans Protoglobin: Effects of Ligand Binding and Dimeric Assembly Forti F, Boechi L, Bikiel D, Marti MA, Nardini M, Bolognesi M, Viappiani C, Estrin D, Luque FJ Journal of Physical Chemistry B, 115(46), 13771, 2011 |
| 9 |
Shielded Hydrogen Bonds as Structural Determinants of Binding Kinetics: Application in Drug Design Schmidtke P, Luque FJ, Murray JB, Barril X Journal of the American Chemical Society, 133(46), 18903, 2011 |
| 10 |
Role of Heme Distortion on Oxygen Affinity in Heme Proteins: The Protoglobin Case Bikiel DE, Forti F, Boechi L, Nardini M, Luque FJ, Marti MA, Estrin DA Journal of Physical Chemistry B, 114(25), 8536, 2010 |