Modesto Orozco

Scopus Author ID Scopus Author ID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 48

Top Venues

Journal of the American Chemical Society

The journal of physical chemistry letters

Nature structural & molecular biology

Journal of chemical information and modeling

Universitat de Barcelona (IRB Barcelona)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Universitat de Barcelona (IRB Barcelona)

Spain

Catedrático UB - Investigador Principal IRB Barcelona :: Structural and Computational Biology

Publications

Grzegorz Jan Grabe, Rachel T Giorgio, Mateusz Heldt, Bridget Gollan, Molly Sargen, Modesto Orozco, Stephen A Hare, Sophie Helaine
Molecular stripping underpins derepression of a toxin-antitoxin system. Nature structural & molecular biology 31 (7) (2024)
Grzegorz Jan Grabe, Rachel T Giorgio, Mateusz Heldt, Bridget Gollan, Molly Sargen, Modesto Orozco, Stephen A Hare, Sophie Helaine
Molecular stripping underpins derepression of a toxin-antitoxin system. Nature structural & molecular biology 31 (7) (2024)
Grzegorz Jan Grabe, Rachel T Giorgio, Mateusz Heldt, Bridget Gollan, Molly Sargen, Modesto Orozco, Stephen A Hare, Sophie Helaine
Molecular stripping underpins derepression of a toxin-antitoxin system. Nature structural & molecular biology (2024)
Matthew L Evans, Johan Bergsma, Andrius Merkys, Casper Welzel Andersen, Oskar B Andersson, Daniel Beltrán, Evgeny Blokhin, Tara M Boland, Rubén Castañeda Balderas, Kamal Choudhary, Alberto Díaz Díaz, Rodrigo Domínguez García, Hagen Eckert, Kristjan Eimre, María Elena Fuentes Montero, Adam M Krajewski, Jens Jørgen Mortensen, José Manuel Nápoles Duarte, Jacob Pietryga, Ji Qi, Felipe de Jesús Trejo Carrillo, Antanas Vaitkus, Jusong Yu, Adam Zettel, Pedro Baptista de Castro, Johan Carlsson, Tiago F T Cerqueira, Simon Divilov, Hamidreza Hajiyani, Felix Hanke, Kevin Jose, Corey Oses, Janosh Riebesell, Jonathan Schmidt, Donald Winston, Christen Xie, Xiaoyu Yang, Sara Bonella, Silvana Botti, Stefano Curtarolo, Claudia Draxl, Luis Edmundo Fuentes Cobas, Adam Hospital, Zi-Kui Liu, Miguel A L Marques, Nicola Marzari, Andrew J Morris, Shyue Ping Ong, Modesto Orozco, Kristin Aslaug Persson, Kristian Sommer Thygesen, Christopher M Wolverton, Markus Scheidgen, Cormac Toher, Gareth J Conduit, Giovanni Pizzi, Saulius Gražulis, Gian Marco Rignanese, Rickard Armiento
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange. Digital discovery 3 (8) (2024)
Matthew L Evans, Johan Bergsma, Andrius Merkys, Casper Welzel Andersen, Oskar B Andersson, Daniel Beltrán, Evgeny Blokhin, Tara M Boland, Rubén Castañeda Balderas, Kamal Choudhary, Alberto Díaz Díaz, Rodrigo Domínguez García, Hagen Eckert, Kristjan Eimre, María Elena Fuentes Montero, Adam M Krajewski, Jens Jørgen Mortensen, José Manuel Nápoles Duarte, Jacob Pietryga, Ji Qi, Felipe de Jesús Trejo Carrillo, Antanas Vaitkus, Jusong Yu, Adam Zettel, Pedro Baptista de Castro, Johan Carlsson, Tiago F T Cerqueira, Simon Divilov, Hamidreza Hajiyani, Felix Hanke, Kevin Jose, Corey Oses, Janosh Riebesell, Jonathan Schmidt, Donald Winston, Christen Xie, Xiaoyu Yang, Sara Bonella, Silvana Botti, Stefano Curtarolo, Claudia Draxl, Luis Edmundo Fuentes Cobas, Adam Hospital, Zi-Kui Liu, Miguel A L Marques, Nicola Marzari, Andrew J Morris, Shyue Ping Ong, Modesto Orozco, Kristin Aslaug Persson, Kristian Sommer Thygesen, Christopher M Wolverton, Markus Scheidgen, Cormac Toher, Gareth J Conduit, Giovanni Pizzi, Saulius Gražulis, Gian Marco Rignanese, Rickard Armiento
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange. Digital discovery 3 (8) (2024)
Grzegorz Jan Grabe, Rachel T Giorgio, Mateusz Heldt, Bridget Gollan, Molly Sargen, Modesto Orozco, Stephen A Hare, Sophie Helaine
Molecular stripping underpins derepression of a toxin-antitoxin system. Nature structural & molecular biology (2024)
Joan Pous, Blazej Baginski, Pau Martin-Malpartida, Lorena González, Margherita Scarpa, Eric Aragon, Lidia Ruiz, Rebeca A Mees, Javier Iglesias-Fernández, Modesto Orozco, Angel R Nebreda, Maria J Macias
Structural basis of a redox-dependent conformational switch that regulates the stress kinase p38α. Nature communications 14 (1) (2023)
Israel Serrano-Chacón, Bartomeu Mir, Lorenzo Cupellini, Francesco Colizzi, Modesto Orozco, Núria Escaja, Carlos González
pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-Motifs. Journal of the American Chemical Society (2023)
Israel Serrano-Chacón, Bartomeu Mir, Lorenzo Cupellini, Francesco Colizzi, Modesto Orozco, Núria Escaja, Carlos González
pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-Motifs. Journal of the American Chemical Society 145 (6) (2023)
Israel Serrano-Chacón, Bartomeu Mir, Lorenzo Cupellini, Francesco Colizzi, Modesto Orozco, Núria Escaja, Carlos González
pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-Motifs. Journal of the American Chemical Society 145 (6) (2023)
Nikolaos Parisis, Pablo D Dans, Muhammad Jbara, Balveer Singh, Diane Schausi-Tiffoche, Diego Molina-Serrano, Isabelle Brun Heath, Denisa Hendrychová, Suman Kumar Maity, Diana Camila Buitrago, Rafael Lema, Thiziri Nait Achour, Simona Giunta, Michael Girardot, Nicolas Talarek, Valérie Rofidal, Katerina Danezi, Damien Coudreuse, Marie-Noëlle Prioleau, Robert Feil, Modesto Orozco, Ashraf Brik, Pei-Yun Jenny Wu, Liliana Krasinska, Daniel Fisher
Histone H3 serine-57 is a CHK1 substrate whose phosphorylation affects DNA repair. Nature communications 14 (1) (2023)
Israel Serrano-Chacón, Bartomeu Mir, Lorenzo Cupellini, Francesco Colizzi, Modesto Orozco, Núria Escaja, Carlos González
pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-Motifs. Journal of the American Chemical Society 145 (6) (2023)
Federica Battistini, Alba Sala, Adam Hospital, Modesto Orozco
Sequence-Dependent Properties of the RNA Duplex. Journal of chemical information and modeling (2023)
Israel Serrano-Chacón, Bartomeu Mir, Lorenzo Cupellini, Francesco Colizzi, Modesto Orozco, Núria Escaja, Carlos González
pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-Motifs. Journal of the American Chemical Society 145 (6) (2023)
Israel Serrano-Chacón, Bartomeu Mir, Lorenzo Cupellini, Francesco Colizzi, Modesto Orozco, Núria Escaja, Carlos González
pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-Motifs. Journal of the American Chemical Society 145 (6) (2023)
Israel Serrano-Chacón, Bartomeu Mir, Lorenzo Cupellini, Francesco Colizzi, Modesto Orozco, Núria Escaja, Carlos González
pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-Motifs. Journal of the American Chemical Society 145 (6) (2023)
Deborah Naon, Maria Isabel Hernández-Alvarez, Satoko Shinjo, Mateusz Heldt, Saška Ivanova, Olga Martins de Brito, Albert Quintana, Juan Hidalgo, Manuel Palacín, Pilar Aparicio, Juan Castellanos, Luis Lores, David Sebastián, Sonia Fernández-Veledo, Joan Josep Vendrell, Jorge Joven, Modesto Orozco, Antonio Zorzano, Luca Scorrano
Splice variants of mitofusin 2 shape the endoplasmic reticulum and tether it to mitochondria. Science (New York, N.Y.) 380 (6651) (2023)
Lorena González, Lucía Díaz, Joan Pous, Blazej Baginski, Anna Duran-Corbera, Margherita Scarpa, Isabelle Brun Heath, Ana Igea, Pau Martin-Malpartida, Lidia Ruiz, Chiara Pallara, Mauricio Esguerra, Francesco Colizzi, Cristina Mayor-Ruiz, Ricardo M Biondi, Robert Soliva, Maria J Macias, Modesto Orozco, Angel R Nebreda
Characterization of p38α autophosphorylation inhibitors that target the non-canonical activation pathway. Nature communications 14 (1) (2023)
Mirko Paulikat, Juan Aranda, Emiliano Ippoliti, Modesto Orozco, Paolo Carloni
Proton Transfers to DNA in Native Electrospray Ionization Mass Spectrometry: A Quantum Mechanics/Molecular Mechanics Study. The journal of physical chemistry letters 13 (51) (2022)
Genís Bayarri, Pau Andrio, Adam Hospital, Modesto Orozco, Josep Lluis Gelpí
BioExcel Building Blocks REST API (BioBB REST API), programmatic access to interoperable biomolecular simulation tools. Bioinformatics (Oxford, England) 38 (12) (2022)
Maria Victoria Neguembor, Juan Pablo Arcon, Diana Camila Buitrago, Rafael Lema, Jürgen Walther, Ximena Garate, Laura Martin, Pablo Romero, Jumana AlHaj Abed, Marta Gut, Julie Marie Blanc, Melike Lakadamyali, Chao-Ting Wu, Isabelle Brun Heath, Modesto Orozco, Pablo Daniel Dans, Maria Pia Cosma
MiOS, an integrated imaging and computational strategy to model gene folding with nucleosome resolution. Nature structural & molecular biology 29 (10) (2022)
Genís Bayarri, Pau Andrio, Adam Hospital, Modesto Orozco, Josep Lluis Gelpí
BioExcel Building Blocks Workflows (BioBB-Wfs), an integrated web-based platform for biomolecular simulations. Nucleic acids research (2022)
Aristarc Suriñach, Adam Hospital, Yvonne Westermaier, Luis Jordà, Sergi Orozco-Ruiz, Daniel Beltrán, Francesco Colizzi, Pau Andrio, Robert Soliva, Martí Municoy, Josep Lluís Gelpí, Modesto Orozco
High-Throughput Prediction of the Impact of Genetic Variability on Drug Sensitivity and Resistance Patterns for Clinically Relevant Epidermal Growth Factor Receptor Mutations from Atomistic Simulations. Journal of chemical information and modeling 63 (1) (2022)
Aristarc Suriñach, Adam Hospital, Yvonne Westermaier, Luis Jordà, Sergi Orozco-Ruiz, Daniel Beltrán, Francesco Colizzi, Pau Andrio, Robert Soliva, Martí Municoy, Josep Lluís Gelpí, Modesto Orozco
High-Throughput Prediction of the Impact of Genetic Variability on Drug Sensitivity and Resistance Patterns for Clinically Relevant Epidermal Growth Factor Receptor Mutations from Atomistic Simulations. Journal of chemical information and modeling 63 (1) (2022)
Aristarc Suriñach, Adam Hospital, Yvonne Westermaier, Luis Jordà, Sergi Orozco-Ruiz, Daniel Beltrán, Francesco Colizzi, Pau Andrio, Robert Soliva, Martí Municoy, Josep Lluís Gelpí, Modesto Orozco
High-Throughput Prediction of the Impact of Genetic Variability on Drug Sensitivity and Resistance Patterns for Clinically Relevant Epidermal Growth Factor Receptor Mutations from Atomistic Simulations. Journal of chemical information and modeling (2022)
Aristarc Suriñach, Adam Hospital, Yvonne Westermaier, Luis Jordà, Sergi Orozco-Ruiz, Daniel Beltrán, Francesco Colizzi, Pau Andrio, Robert Soliva, Martí Municoy, Josep Lluís Gelpí, Modesto Orozco
High-Throughput Prediction of the Impact of Genetic Variability on Drug Sensitivity and Resistance Patterns for Clinically Relevant Epidermal Growth Factor Receptor Mutations from Atomistic Simulations. Journal of chemical information and modeling 63 (1) (2022)
Albert Escobedo, Jonathan Piccirillo, Juan Aranda, Tammo Diercks, Borja Mateos, Carla Garcia-Cabau, Macarena Sánchez-Navarro, Busra Topal, Mateusz Biesaga, Lasse Staby, Birthe B Kragelund, Jesús García, Óscar Millet, Modesto Orozco, Murray Coles, Ramon Crehuet, Xavier Salvatella
A glutamine-based single α-helix scaffold to target globular proteins. Nature communications 13 (1) (2022)
Miłosz Wieczór, Vito Genna, Juan Aranda, Rosa M Badia, Josep Lluís Gelpí, Vytautas Gapsys, Bert L de Groot, Erik Lindahl, Martí Municoy, Adam Hospital, Modesto Orozco
Pre-exascale HPC approaches for molecular dynamics simulations. Covid-19 research: A use case. Wiley interdisciplinary reviews. Computational molecular science (2022)
Mirko Paulikat, Juan Aranda, Emiliano Ippoliti, Modesto Orozco, Paolo Carloni
Proton Transfers to DNA in Native Electrospray Ionization Mass Spectrometry: A Quantum Mechanics/Molecular Mechanics Study. The journal of physical chemistry letters 13 (51) (2022)
Mirko Paulikat, Juan Aranda, Emiliano Ippoliti, Modesto Orozco, Paolo Carloni
Proton Transfers to DNA in Native Electrospray Ionization Mass Spectrometry: A Quantum Mechanics/Molecular Mechanics Study. The journal of physical chemistry letters 13 (51) (2022)
Mirko Paulikat, Juan Aranda, Emiliano Ippoliti, Modesto Orozco, Paolo Carloni
Proton Transfers to DNA in Native Electrospray Ionization Mass Spectrometry: A Quantum Mechanics/Molecular Mechanics Study. The journal of physical chemistry letters 13 (51) (2022)
Aakash Basu, Dmitriy G Bobrovnikov, Basilio Cieza, Juan Pablo Arcon, Zan Qureshi, Modesto Orozco, Taekjip Ha
Deciphering the mechanical code of the genome and epigenome. Nature structural & molecular biology (2022)
Mirko Paulikat, Juan Aranda, Emiliano Ippoliti, Modesto Orozco, Paolo Carloni
Proton Transfers to DNA in Native Electrospray Ionization Mass Spectrometry: A Quantum Mechanics/Molecular Mechanics Study. The journal of physical chemistry letters (2022)
Diana Camila Buitrago, Mireia Labrador, Juan Pablo Arcon, Rafael Lema, Oscar Flores, Anna Esteve-Codina, Julie Marie Blanc, Nuria Villegas, David Bellido, Marta Gut, Pablo D Dans, Simon Charles Heath, Ivo G Gut, Isabelle Brun Heath, Modesto Orozco
Impact of DNA methylation on 3D genome structure. Nature communications 12 (1) (2021)
Francesco Colizzi, Modesto Orozco
Probing allosteric regulations with coevolution-driven molecular simulations. Science advances 7 (37) (2021)
David Moreno, Sanja Zivanovic, Francesco Colizzi, Adam Hospital, Juan Aranda, Robert Soliva, Modesto Orozco
DFFR: A New Method for High-Throughput Recalibration of Automatic Force-Fields for Drugs. Journal of chemical theory and computation 16 (10) (2020)
Sanja Zivanovic, Genís Bayarri, Francesco Colizzi, David Moreno, Josep Lluís Gelpí, Robert Soliva, Adam Hospital, Modesto Orozco
Bioactive Conformational Ensemble Server and Database. A Public Framework to Speed Up In Silico Drug Discovery. Journal of chemical theory and computation 16 (10) (2020)
Sanja Zivanovic, Francesco Colizzi, David Moreno, Adam Hospital, Robert Soliva, Modesto Orozco
Exploring the Conformational Landscape of Bioactive Small Molecules. Journal of chemical theory and computation 16 (10) (2020)
Francesco Colizzi, Adam Hospital, Sanja Zivanovic, Modesto Orozco
Predicting the Limit of Intramolecular Hydrogen Bonding with Classical Molecular Dynamics. Angewandte Chemie (International ed. in English) 58 (12) (2019)
Guillem Portella, Modesto Orozco, Christopher M Dobson
Determination of a Structural Ensemble Representing the Dynamics of a G-Quadruplex DNA. Biochemistry 59 (4) (2019)
Martin Kotev, Pilar Manuel-Manresa, Elsa Hernando, Vanessa Soto-Cerrato, Modesto Orozco, Roberto Quesada, Ricardo Pérez-Tomás, Victor Guallar
Inhibition of Human Enhancer of Zeste Homolog 2 with Tambjamine Analogs. Journal of chemical information and modeling 57 (8) (2017)
Jinyu Li, Wenping Lyu, Giulia Rossetti, Albert Konijnenberg, Antonino Natalello, Emiliano Ippoliti, Modesto Orozco, Frank Sobott, Rita Grandori, Paolo Carloni
Proton Dynamics in Protein Mass Spectrometry. The journal of physical chemistry letters 8 (6) (2017)
Antonija Kuzmanic, Ludovico Sutto, Giorgio Saladino, Angel R Nebreda, Francesco Luigi Gervasio, Modesto Orozco
Changes in the free-energy landscape of p38α MAP kinase through its canonical activation and binding events as studied by enhanced molecular dynamics simulations. eLife 6 (2017)
Agustí Emperador, Modesto Orozco
Discrete Molecular Dynamics Approach to the Study of Disordered and Aggregating Proteins. Journal of chemical theory and computation 13 (3) (2017)
Bartomeu Mir, Israel Serrano, Diana Buitrago, Modesto Orozco, Núria Escaja, Carlos González
Prevalent Sequences in the Human Genome Can Form Mini i-Motif Structures at Physiological pH. Journal of the American Chemical Society 139 (40) (2017)
Adam Hospital, Michela Candotti, Josep Lluís Gelpí, Modesto Orozco
The Multiple Roles of Waters in Protein Solvation. The journal of physical chemistry. B 121 (15) (2017)
Adélaïde Saint-Léger, Carla Bello, Pablo Daniel Dans, Adrian Gabriel Torres, Eva Maria Novoa, Noelia Camacho, Modesto Orozco, Fyodor A Kondrashov, Lluís Ribas de Pouplana
Saturation of recognition elements blocks evolution of new tRNA identities. Science advances 2 (4) (2016)
Alexandra Balaceanu, Marco Pasi, Pablo Daniel Dans, Adam Hospital, Richard Lavery, Modesto Orozco
The Role of Unconventional Hydrogen Bonds in Determining BII Propensities in B-DNA. The journal of physical chemistry letters 8 (1) (2016)

Modesto Orozco.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Modesto Orozco