| PyEMMA 2: A software package for estimation, validation, and analysis of Markov models MK Scherer, B Trendelkamp-Schroer, F Paul, G Pérez-Hernández, ... Journal of chemical theory and computation 11 (11), 5525-5542, 2015 | 886 | 2015 |
| Identification of slow molecular order parameters for Markov model construction G Pérez-Hernández, F Paul, T Giorgino, G De Fabritiis, F Noé The Journal of chemical physics 139 (1), 07B604_1, 2013 | 879 | 2013 |
| Variational approach to molecular kinetics F Nüske, BG Keller, G Pérez-Hernández, ASJS Mey, F Noé Journal of chemical theory and computation 10 (4), 1739-1752, 2014 | 284 | 2014 |
| Hierarchical time-lagged independent component analysis: computing slow modes and reaction coordinates for large molecular systems G Pérez-Hernández, F Noé Journal of chemical theory and computation 12 (12), 6118-6129, 2016 | 68 | 2016 |
| Tethered agonist exposure in intact adhesion/class B2 GPCRs through intrinsic structural flexibility of the GAIN domain G Beliu, S Altrichter, R Guixà-González, M Hemberger, I Brauer, ... Molecular Cell 81 (5), 905-921. e5, 2021 | 58 | 2021 |
| Anisotropy of the water–carbon interaction: molecular simulations of water in low-diameter carbon nanotubes G Pérez-Hernández, B Schmidt Physical Chemistry Chemical Physics 15 (14), 4995-5006, 2013 | 40 | 2013 |
| Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations B Islam, P Stadlbauer, A Gil Ley, G Pérez-Hernández, S Haider, S Neidle, ... Journal of Chemical Theory and Computation, 2017 | 39 | 2017 |
| The chromophore structure of the cyanobacterial phytochrome Cph1 as predicted by time-dependent density functional theory RA Matute, R Contreras, G Pérez-Hernández, L González The Journal of Physical Chemistry B 112 (51), 16253-16256, 2008 | 39 | 2008 |
| Mechanistic insight into light-driven molecular rotors: a conformational search in chiral overcrowded alkenes by a pseudo-random approach G Pérez-Hernández, L González Physical Chemistry Chemical Physics 12 (38), 12279-12289, 2010 | 30 | 2010 |
| Defining the architecture of KPC-2 Carbapenemase: identifying allosteric networks to fight antibiotics resistance I Galdadas, S Lovera, G Pérez-Hernández, MD Barnes, J Healy, ... Scientific reports 8 (1), 1-13, 2018 | 28 | 2018 |
| Biologically inspired molecular machines driven by light. Optimal control of a unidirectional rotor G Pérez-Hernández, A Pelzer, L González, T Seideman New Journal of Physics 12 (7), 075007, 2010 | 27 | 2010 |
| IR Spectrum of FHF– and FDF– Revisited Using a Spectral Method in Four Dimensions G Pérez-Hernández, J Gonzalez-Vazquez, L González The Journal of Physical Chemistry A 116 (46), 11361-11369, 2012 | 15 | 2012 |
| On the light-driven isomerization of a model asymmetric molecular rotor: Conformations and conical intersections of 2-Cyclopentylidene-tetrahydrofuran M Assmann, G Pérez-Hernández, L González The Journal of Physical Chemistry A 114 (34), 9342-9348, 2010 | 14 | 2010 |
| Towards Toroidal Hydrogen Bonds I Barth, J Manz, G Perez-Hernandez, P Sebald Zeitschrift für Physikalische Chemie International journal of research in …, 2008 | 14 | 2008 |
| Excited state dynamics of a model asymmetric molecular rotor: A five-dimensional study on 2-cyclopentylidene-tetrahydrofuran M Assmann, CS Sanz, G Pérez-Hernández, GA Worth, L González Chemical Physics 377 (1), 86-95, 2010 | 10 | 2010 |
| Rydberg or Valence? The Long‐Standing Question in the UV Absorption Spectrum of 1, 1′‐Bicyclohexylidene G Pérez‐Hernández, L González, L Serrano‐Andrés ChemPhysChem 9 (17), 2544-2549, 2008 | 8 | 2008 |
| Singlet oxygen generation versus O–O homolysis in phenyl-substituted anthracene endoperoxides investigated by RASPT2, CASPT2, CC2, and TD-DFT methods S Kupfer, G Pérez-Hernández, L González Theoretical Chemistry Accounts 131 (12), 1295, 2012 | 5 | 2012 |
| The Chromophore Structure of the Cyanobacterial Phytochrome Cph1 As Predicted by Time-Dependent Density Functional Theory R Matute Morales, R Contreras Ramos, G Pérez Hernández, L González AMER CHEMICAL SOC, 2008 | | 2008 |
| Laser Control of Wavepacket Photodissociation and Photoisomerization Dynamics in Isolated Molecules L González, T Rozgonyi, D Ambrosek, G Pérez‐Hernández AIP Conference Proceedings 963 (1), 576-585, 2007 | | 2007 |
| Mechanistic insight into light-driven molecular rotors: a conformational search in overcrowded alkenes by a pseudo-random approach. G Pérez-Hernández, L González | | |
