| 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 | 1082 | 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), 2013 | 1030 | 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 | 323 | 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 | 73 | 2016 |
| Tethered agonist exposure in intact adhesion/class B2 GPCRs through intrinsic structural flexibility of the GAIN domain G Beliu, S Altrichter, R Guixŕ-González, M Hemberger, I Brauer, ... Molecular Cell 81 (5), 905-921. e5, 2021 | 71 | 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 | 44 | 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 | 43 | 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 | 42 | 2008 |
| 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 | 38 | 2018 |
| 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 |
| 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 |
| Time-resolved cryo-EM of G-protein activation by a GPCR MM Papasergi-Scott, G Pérez-Hernández, H Batebi, Y Gao, G Eskici, ... Nature, 1-10, 2024 | 25 | 2024 |
| Function and dynamics of the intrinsically disordered carboxyl terminus of β2 adrenergic receptor J Heng, Y Hu, G Pérez-Hernández, A Inoue, J Zhao, X Ma, X Sun, ... Nature communications 14 (1), 2005, 2023 | 25 | 2023 |
| 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 | 14 | 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 |
| mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data G Pérez-Hernández, PW Hildebrand bioRxiv, 2022.07. 15.500163, 2022 | 9 | 2022 |
| 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 | 9 | 2008 |
| MDsrv: visual sharing and analysis of molecular dynamics simulations M Kampfrath, R Staritzbichler, GP Hernández, AS Rose, JKS Tiemann, ... Nucleic Acids Research 50 (W1), W483-W489, 2022 | 8 | 2022 |
