Guillermo Pérez-Hernández
Guillermo Pérez-Hernández
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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
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
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
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
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
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
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
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
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
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
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
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
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
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
Towards Toroidal Hydrogen Bonds
I Barth, J Manz, G Perez-Hernandez, P Sebald
Zeitschrift für Physikalische Chemie International journal of research in …, 2008
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
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
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
mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data
G Pérez-Hernández, PW Hildebrand
bioRxiv, 2022.07. 15.500163, 2022
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
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