Jesús I. Mendieta-Moreno
Jesús I. Mendieta-Moreno
Instituto de Ciencia de Materiales de Madrid, ICMM, CSIC
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MEPSA: minimum energy pathway analysis for energy landscapes
I Marcos-Alcalde, J Setoain, JI Mendieta-Moreno, J Mendieta, ...
Bioinformatics 31 (23), 3853-3855, 2015
The Role of Gln61 in HRas GTP hydrolysis: a quantum mechanics/molecular mechanics study
F Martín-García, JI Mendieta-Moreno, E López-Vinas, P Gómez-Puertas, ...
Biophysical Journal 102 (1), 152-157, 2012
Adsorption orientations and immunological recognition of antibodies on graphene
JG Vilhena, AC Dumitru, ET Herruzo, JI Mendieta-Moreno, R Garcia, ...
Nanoscale 8 (27), 13463-13475, 2016
fireball/amber: An Efficient Local-Orbital DFT QM/MM Method for Biomolecular Systems
JI Mendieta-Moreno, RC Walker, JP Lewis, P Gómez-Puertas, J Mendieta, ...
Journal of Chemical Theory and Computation 10 (5), 2185-2193, 2014
Strain‐induced isomerization in one‐dimensional metal–organic chains
M Telychko, J Su, A Gallardo, Y Gu, JI Mendieta‐Moreno, D Qi, A Tadich, ...
Angewandte Chemie 131 (51), 18764-18770, 2019
Effect of water-DNA interactions on elastic properties of DNA self-assembled monolayers
CM Domínguez, D Ramos, JI Mendieta-Moreno, JLG Fierro, J Mendieta, ...
Scientific Reports 7 (1), 536, 2017
Tailoring π-conjugation and vibrational modes to steer on-surface synthesis of pentalene-bridged ladder polymers
B de la Torre, A Matěj, A Sánchez-Grande, B Cirera, B Mallada, ...
Nature communications 11 (1), 4567, 2020
On-surface strain-driven synthesis of nonalternant non-benzenoid aromatic compounds containing four-to eight-membered rings
B Mallada, B de la Torre, JI Mendieta-Moreno, D Nachtigallová, A Matěj, ...
Journal of the American Chemical Society 143 (36), 14694-14702, 2021
Two-step ATP-driven opening of cohesin head
Í Marcos-Alcalde, JI Mendieta-Moreno, B Puisac, MC Gil-Rodríguez, ...
Scientific Reports 7 (1), 3266, 2017
Proton transfer in guanine-cytosine base pairs in B-DNA
D Soler-Polo, JI Mendieta-Moreno, DG Trabada, J Mendieta, J Ortega
Journal of chemical theory and computation 15 (12), 6984-6991, 2019
Quantum mechanics/molecular mechanics free energy maps and nonadiabatic simulations for a photochemical reaction in DNA: cyclobutane thymine dimer
JI Mendieta-Moreno, DG Trabada, J Mendieta, JP Lewis, ...
The Journal of Physical Chemistry Letters 7 (21), 4391-4397, 2016
Heterochiral recognition among functionalized heptahelicenes on noble metal surfaces
A Mairena, JI Mendieta, O Stetsovych, A Terfort, IG Stará, I Starý, P Jelínek, ...
Chemical Communications 55 (71), 10595-10598, 2019
Atomic Scale Control and Visualization of Topological Quantum Phase Transition in π‐Conjugated Polymers Driven by Their Length
H González‐Herrero, JI Mendieta‐Moreno, S Edalatmanesh, J Santos, ...
Advanced Materials 33 (44), 2104495, 2021
Molecular dynamics simulation of GTPase activity in polymers of the cell division protein FtsZ
F Martín-García, E Salvarelli, JI Mendieta-Moreno, M Vicente, ...
FEBS letters 586 (8), 1236-1239, 2012
Significance of nuclear quantum effects in hydrogen bonded molecular chains
A Cahlik, J Hellerstedt, JI Mendieta-Moreno, M Svec, VM Santhini, ...
ACS nano 15 (6), 10357-10365, 2021
Unusual Scaffold Rearrangement in Polyaromatic Hydrocarbons Driven by Concerted Action of Single Gold Atoms on a Gold Surface
JI Mendieta‐Moreno, B Mallada, B de la Torre, T Cadart, M Kotora, ...
Angewandte Chemie International Edition 61 (50), e202208010, 2022
Transition from Homochiral Clusters to Racemate Monolayers during 2D Crystallization of Trioxa [11] helicene on Ag (100)
B Irziqat, J Berger, JI Mendieta‐Moreno, MS Sundar, AV Bedekar, ...
ChemPhysChem 22 (3), 293-297, 2021
Exploiting Cooperative Catalysis for the On‐Surface Synthesis of Linear Heteroaromatic Polymers via Selective C–H Activation
X Liu, A Matej, T Kratky, JI Mendieta‐Moreno, S Günther, P Mutombo, ...
Angewandte Chemie International Edition 61 (5), e202112798, 2022
Photo-induced reactions from efficient molecular dynamics with electronic transitions using the FIREBALL local-orbital density functional theory formalism
V Zobač, JP Lewis, E Abad, JI Mendieta-Moreno, P Hapala, P Jelínek, ...
Journal of Physics: Condensed Matter 27 (17), 175002, 2015
Attomolar detection of hepatitis C virus core protein powered by molecular antenna-like effect in a graphene field-effect aptasensor
I Palacio, M Moreno, A Náñez, A Purwidyantri, T Domingues, PD Cabral, ...
Biosensors and Bioelectronics 222, 115006, 2023
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