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Pablo Campomanes
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Ligand substitutions between ruthenium–cymene compounds can control protein versus DNA targeting and anticancer activity
Z Adhireksan, GE Davey, P Campomanes, M Groessl, CM Clavel, H Yu, ...
Nature communications 5 (1), 3462, 2014
3192014
The molecular mechanism of the catalase-like activity in horseradish peroxidase
P Campomanes, U Rothlisberger, M Alfonso-Prieto, C Rovira
Journal of the American Chemical Society 137 (34), 11170-11178, 2015
1032015
Rhodopsin absorption from first principles: Bypassing common pitfalls
O Valsson, P Campomanes, I Tavernelli, U Rothlisberger, C Filippi
Journal of chemical theory and computation 9 (5), 2441-2454, 2013
972013
Pre-existing bilayer stresses modulate triglyceride accumulation in the ER versus lipid droplets
V Zoni, R Khaddaj, P Campomanes, AR Thiam, R Schneiter, S Vanni
Elife 10, e62886, 2021
582021
Reactions of alkynes with [RuCl (cyclopentadienyl)] complexes: the important first steps
B Dutta, B FE Curchod, P Campomanes, E Solari, R Scopelliti, ...
Chemistry–A European Journal 16 (28), 8400-8409, 2010
522010
[W(CO)5]‐Catalyzed endo‐ or exo‐Cycloisomerization Reactions of 1,1‐Disubstituted 4‐Pentyn‐1‐ols: Experimental and Theoretical Studies
J Barluenga, A Diéguez, F Rodríguez, FJ Fañanás, T Sordo, ...
Chemistry–A European Journal 11 (19), 5735-5741, 2005
512005
Local accumulation of diacylglycerol alters membrane properties nonlinearly due to its transbilayer activity
P Campomanes, V Zoni, S Vanni
Communications Chemistry 2 (1), 72, 2019
482019
Studies of glutathione transferase P1‐1 bound to a platinum (IV)‐based anticancer compound reveal the molecular basis of its activation
LJ Parker, LC Italiano, CJ Morton, NC Hancock, DB Ascher, JB Aitken, ...
Chemistry–a European journal 17 (28), 7806-7816, 2011
462011
Origin of the spectral shifts among the early intermediates of the rhodopsin photocycle
P Campomanes, M Neri, BAC Horta, UF Röhrig, S Vanni, I Tavernelli, ...
Journal of the American Chemical Society 136 (10), 3842-3851, 2014
452014
Keys to lipid selection in fatty acid amide hydrolase catalysis: structural flexibility, gating residues and multiple binding pockets
G Palermo, I Bauer, P Campomanes, A Cavalli, A Armirotti, S Girotto, ...
PLoS computational biology 11 (6), e1004231, 2015
442015
Ion binding and internal hydration in the multidrug resistance secondary active transporter NorM investigated by molecular dynamics simulations
S Vanni, P Campomanes, M Marcia, U Rothlisberger
Biochemistry 51 (6), 1281-1287, 2012
412012
Solvent-Assisted New Reaction Pathways for the (THF)W(CO)5-Promoted endo- and exo-Cycloisomerization of 4-Pentyn-1-ol:  A Theoretical Investigation
T Sordo, P Campomanes, A Diéguez, F Rodríguez, FJ Fañanás
Journal of the American Chemical Society 127 (3), 944-952, 2005
382005
Synthesis of β-Lactams from a N-Rhenaimine:  Effect of the Transition Metal on the Energetic Profile of the Staudinger Reaction
E Hevia, J Pérez, V Riera, D Miguel, P Campomanes, MI Menéndez, ...
Journal of the American Chemical Society 125 (13), 3706-3707, 2003
382003
Anandamide hydrolysis in FAAH reveals a dual strategy for efficient enzyme-assisted amide bond cleavage via nitrogen inversion
G Palermo, P Campomanes, A Cavalli, U Rothlisberger, M De Vivo
The Journal of Physical Chemistry B 119 (3), 789-801, 2015
352015
Theoretical studies on the ring opening of β-lactams: Processes in solution and in enzymatic media
R Lopez, MI Menendez, N Diaz, D Suarez, P Campomanes, D Ardura, ...
Current Organic Chemistry 10 (7), 805-821, 2006
352006
Wagging the tail: Essential role of substrate flexibility in FAAH catalysis
G Palermo, P Campomanes, M Neri, D Piomelli, A Cavalli, ...
Journal of chemical theory and computation 9 (2), 1202-1213, 2013
332013
In situ architecture of the ER–mitochondria encounter structure
MR Wozny, A Di Luca, DR Morado, A Picco, R Khaddaj, P Campomanes, ...
Nature 618 (7963), 188-192, 2023
312023
Pushing the frontiers of first-principles based computer simulations of chemical and biological systems
E Brunk, I Tavernelli, S Vanni, TJ Penfold, G Palermo, M Neri, ...
Chimia 65 (9), 667-667, 2011
272011
Structural determinants for the binding of morphinan agonists to the μ-opioid receptor
X Cong, P Campomanes, A Kless, I Schapitz, M Wagener, T Koch, ...
PLoS One 10 (8), e0135998, 2015
262015
Heterogeneous reaction mechanisms of the reduction of nitric oxide on carbon surfaces: a theoretical analysis
A Arenillas, B Arias, F Rubiera, JJ Pis, R López, P Campomanes, ...
Theoretical Chemistry Accounts 127, 95-108, 2010
262010
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Articles 1–20