Pietro Vidossich

发表

The molecular mechanism of the catalase reaction.

Pietro Vidossich, M. Alfonso-Prieto, X. Biarnés, 2009, Journal of the American Chemical Society.

QM/MM Molecular Dynamics Studies of Metal Binding Proteins

A. Magistrato, Pietro Vidossich, 2014, Biomolecules.

The effect of a water molecule on the mechanism of formation of compound 0 in horseradish peroxidase.

S. Shaik, M. Alfonso-Prieto, Pietro Vidossich, 2007, Journal of the American Chemical Society.

On the role of water in peroxidase catalysis: a theoretical investigation of HRP compound I formation.

S. Shaik, M. Alfonso-Prieto, Pietro Vidossich, 2010, The journal of physical chemistry. B.

Coordination properties of a metal chelator clioquinol to Zn(2+) studied by static DFT and ab initio molecular dynamics.

L. Rodríguez-Santiago, M. Sodupe, Pietro Vidossich, 2015, Physical chemistry chemical physics : PCCP.

Structural basis for inhibition of the Cation-chloride cotransporter NKCC1 by the diuretic drug bumetanide

E. Cao, B. Forbush, Pietro Vidossich, 2022, Nature Communications.

Multiscale molecular simulations to investigate adenylyl cyclase‐based signaling in the brain

R. Wade, Jeanette Hellgren Kotaleski, U. Rothlisberger, 2022, WIREs Computational Molecular Science.

Backtracking of influenza polymerase upon consecutive incorporation of nucleoside analogue T1106 directly observed by high-resolution cryo-electron microscopy

S. Cusack, Pietro Vidossich, M. De Vivo, 2022, bioRxiv.

Oxygen Binding to Catalase-Peroxidase

Pietro Vidossich, C. Rovira, P. Loewen, 2011 .

Alchemical Free Energy Calculations to Investigate Protein–Protein Interactions: the Case of the CDC42/PAK1 Complex

A. Ganesan, Pietro Vidossich, M. Vivo, 2022, J. Chem. Inf. Model..

Influence of Steric Effect on the Pseudo-Multicomponent Synthesis of N-Aroylmethyl-4-Arylimidazoles

Pietro Vidossich, G. P. Miscione, J. Portilla, 2022, Molecules.

Visualizing group II intron dynamics between the first and second steps of splicing

A. Pyle, Isabel Chillón, M. Marcia, 2020, Nature Communications.

Local Structural Dynamics at the Metal-Centered Catalytic Site of Polymerases is Critical for Fidelity

Pietro Vidossich, M. De Vivo, I. Geronimo, 2021, ACS Catalysis.

Reversible carbon–boron bond formation at platinum centers through σ-BH complexes

Pietro Vidossich, A. Lledós, S. Conejero, 2020, Chemical science.

Structure of the human cation–chloride cotransport KCC1 in an outward-open state

Jiemin Shen, E. Cao, Qinzhe Wang, 2022, Proceedings of the National Academy of Sciences of the United States of America.

Do metal⋅⋅⋅water hydrogen bonds hold in solution? Insight from ab initio molecular dynamics simulations.

M. A. Ortuño, Pietro Vidossich, A. Lledós, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications.

Pietro Vidossich, A. Vallribera, A. Lledós, 2016, Journal of the American Chemical Society.

Orbital-like motion of hydride ligands around low-coordinate metal centers.

M. A. Ortuño, Pietro Vidossich, A. Lledós, 2014, Angewandte Chemie.

Design of an enantioselective artificial metallo-hydratase enzyme containing an unnatural metal-binding amino acid

G. Roelfes, Jean‐Didier Maréchal, Pietro Vidossich, 2017, Chemical science.

First-Principles Molecular Dynamics Studies of Organometallic Complexes and Homogeneous Catalytic Processes.

Pietro Vidossich, A. Lledós, Gregori Ujaque, 2016, Accounts of chemical research.

Realistic Simulation of Organometallic Reactivity in Solution by Means of First-Principles Molecular Dynamics

Pietro Vidossich, A. Lledós, Gregori Ujaque, 2015 .

Computational Insights on an Artificial Imine Reductase Based on the Biotin–Streptavidin Technology

Jean‐Didier Maréchal, Pietro Vidossich, A. Lledós, 2014 .

Selective Synthesis of Tetrasubstituted Olefins by Copper-Mediated Acetoxythiolation of Internal Alkynes: Scope and Mechanistic Studies.

Pietro Vidossich, P. Villuendas, A. Lledós, 2018, Chemistry.

The use of localised orbitals for the bonding and mechanistic analysis of organometallic compounds.

Agustí Lledós, Pietro Vidossich, Pietro Vidossich, 2014, Dalton transactions.

Palladium monophosphine Pd(PPh3): is it really accessible in solution?

Pietro Vidossich, A. Lledós, Gregori Ujaque, 2014, Chemical communications.

Solution dynamics of agostic interactions in T-shaped Pt(II) complexes from ab initio molecular dynamics simulations.

M. A. Ortuño, Pietro Vidossich, A. Lledós, 2013, Dalton transactions.

Calculation of Reaction Free Energies in Solution: A Comparison of Current Approaches.

Agustí Lledós, Gregori Ujaque, Feliu Maseras, 2018, The journal of physical chemistry. A.

Synthesis of 2,7-diarylpyrazolo [1,5-a] pyrimidine derivatives with antitumor activity. Theoretical identification of targets

Pietro Vidossich, G. P. Miscione, C. Melo, 2021, European Journal of Medicinal Chemistry Reports.

Directed Evolution of an Artificial Imine Reductase.

Jean‐Didier Maréchal, Pietro Vidossich, T. Ward, 2018, Angewandte Chemie.

Basic ancillary ligands promote O-O bond formation in iridium-catalyzed water oxidation: a DFT study.

Pietro Vidossich, A. Lledós, David Balcells, 2011, Dalton transactions.

Synthesis, structure, and catalytic applications for ortho- and meta-carboranyl based NBN pincer-Pd complexes.

M. T. Herrero, D. Choquesillo-Lazarte, Pietro Vidossich, 2014, Inorganic chemistry.

Binding of phosphinate and phosphonate inhibitors to aspartic proteases: a first-principles study.

P. Carloni, Pietro Vidossich, 2006, The journal of physical chemistry. B.

Isolation of a Cationic Platinum(II) σ-Silane Complex.

Pietro Vidossich, A. Lledós, S. Conejero, 2018, Angewandte Chemie.

A resorcinarene-based tetrabenzoimidazolylidene complex of rhodium.

Pietro Vidossich, Gregori Ujaque, E. Peris, 2020, Dalton transactions.

Tripodal halogen bonding iodo-azolium receptors for anion recognition

P. Beer, Pietro Vidossich, Gregori Ujaque, 2017 .

Rim, Side Arms, and Cavity: Three Sites for the Recognition of Anions by Tetraazolium Resorcinarene Cavitands.

Pietro Vidossich, Gregori Ujaque, E. Peris, 2016, Chemistry.

A Tetraferrocenyl-Resorcinarene Cavitand as a Redox-Switchable Host of Ammonium Salts.

Pietro Vidossich, Gregori Ujaque, E. Peris, 2015, Chemistry.

Modeling Kinetics and Thermodynamics of Guest Encapsulation into the [M4L6]12– Supramolecular Organometallic Cage

Jean‐Didier Maréchal, Pietro Vidossich, Gregori Ujaque, 2021, J. Chem. Inf. Model..

Coordinatively Unsaturated T-Shaped Platinum(II) Complexes Stabilized by Small N-Heterocyclic Carbene Ligands. Synthesis and Cyclometalation

M. A. Ortuño, Pietro Vidossich, A. Lledós, 2014 .

Computational investigations of polymerase enzymes: Structure, function, inhibition, and biotechnology

Pietro Vidossich, M. Vivo, E. Donati, 2021, WIREs Computational Molecular Science.

A Self-Activated Mechanism for Nucleic Acid Polymerization Catalyzed by DNA/RNA Polymerases.

P. Carloni, E. Ippoliti, Pietro Vidossich, 2016, Journal of the American Chemical Society.

Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106.

S. Cusack, Pietro Vidossich, M. De Vivo, 2022, Cell reports.

Essential Role of Proximal Histidine-Asparagine Interaction in Mammalian Peroxidases*

C. Obinger, Pietro Vidossich, C. Rovira, 2009, The Journal of Biological Chemistry.

The dynamic role of distal side residues in heme hydroperoxidase catalysis. Interplay between X-ray crystallography and ab initio MD simulations.

M. Alfonso-Prieto, Pietro Vidossich, C. Rovira, 2010, Archives of biochemistry and biophysics.

Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigation.

Giacomo Fiorin, Ignacio Fita, Pietro Vidossich, 2014, The journal of physical chemistry. B.

Author Correction: Visualizing group II intron dynamics between the first and second steps of splicing

A. Pyle, Isabel Chillón, M. Marcia, 2022, Nature communications.

The role of first principles simulations in studying (bio)catalytic processes

Marco De Vivo, Pietro Vidossich, Pietro Vidossich, 2021 .

Pt(II) as a proton shuttle during C-H bond activation in the Shilov process.

Pietro Vidossich, A. Lledós, Gregori Ujaque, 2012, Chemical communications.

The reaction mechanisms of heme catalases: an atomistic view by ab initio molecular dynamics.

M. Alfonso-Prieto, Pietro Vidossich, C. Rovira, 2012, Archives of biochemistry and biophysics.

Insights into the Catalytic Mechanism of Domains CD1 and CD2 in Histone Deacetylase 6 from Quantum Calculations

N. Russo, Pietro Vidossich, M. De Vivo, 2021 .

Molecular Mechanism of Phosphate Steering for DNA Binding, Cleavage Localization, and Substrate Release in Nucleases

Pietro Vidossich, M. De Vivo, Elisa Donati, 2021, ACS Catalysis.

Functional Implications of Second-Shell Basic Residues for dUTPase DR2231 Enzymatic Specificity

D. de Sanctis, Pietro Vidossich, M. De Vivo, 2020 .

NH-Heterocyclic Aryliodonium Salts and their Selective Conversion into N1-Aryl-5-iodoimidazoles.

Pietro Vidossich, A. Lledós, A. Shafir, 2016, Angewandte Chemie.

Bonding rearrangements in organometallic reactions: from orbitals to curly arrows.

Pietro Vidossich, A. Lledós, G. Sciortino, 2019, Dalton transactions.

Computing the arrows of chemical reactions

Pietro Vidossich, A. Lledós, 2017, ChemTexts.

Catalases versus peroxidases: DFT investigation of H₂O₂ oxidation in models systems and implications for heme protein engineering.

M. Alfonso-Prieto, Pietro Vidossich, C. Rovira, 2012, Journal of inorganic biochemistry.

Integrated Computational Study of the Cu-Catalyzed Hydration of Alkenes in Water Solvent and into the Context of an Artificial Metallohydratase

G. Roelfes, Jean‐Didier Maréchal, Pietro Vidossich, 2019, ACS Catalysis.

σ-Silane Platinum(II) Complexes as Intermediates in C-Si Bond Coupling Processes.

Pietro Vidossich, A. Lledós, S. Conejero, 2019, Chemistry.

First-Principles Molecular Dynamics Studies of Organometallic Complexes and Homogeneous Catalytic Processes

Pietro Vidossich, A. Lledós, Gregori Ujaque, 2016 .

Visualizing group II intron dynamics between the first and second steps of splicing

A. Pyle, Isabel Chillón, M. Marcia, 2020, Nature Communications.

Reactivity of coordinatively unsaturated bis(N-heterocyclic carbene) Pt(II) complexes toward H(2). Crystal structure of a 14-electron Pt(II) hydride complex.

M. A. Ortuño, Pietro Vidossich, E. Gutiérrez‐Puebla, 2014, Inorganic chemistry.

Electronic state of the molecular oxygen released by catalase.

M. Alfonso-Prieto, Pietro Vidossich, C. Rovira, 2008, The journal of physical chemistry. A.

Versatility of the electronic structure of compound I in catalase-peroxidases.

M. Alfonso-Prieto, Pietro Vidossich, C. Rovira, 2007, Journal of the American Chemical Society.

An ionizable active-site tryptophan imparts catalase activity to a peroxidase core.

Pietro Vidossich, C. Rovira, P. Loewen, 2014, Journal of the American Chemical Society.