Carolina Estarellas

ORCID

Publication Activity (10 Years)

Years Active: 2016-2022
Publications (10 Years): 7

Top Venues

The journal of physical chemistry letters

Angewandte Chemie (International ed. in English)

The Journal of organic chemistry

eLife

Universidad de Barcelona

University of Balearic Islands (PHD)

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

Affiliation History

Universidad de Barcelona Nov 01 2013 - May 31 2018

Spain

Postdoc

CEITEC

Czechia

Post-doc

Education History

University of Balearic Islands

Spain

PHD :: Chemistry

Publications

Alberto Borsatto, Obaeda Akkad, Ioannis Galdadas, Shumeng Ma, Shymaa Damfo, Shozeb M Haider, Frank Kozielski, Carolina Estarellas, Francesco Luigi Gervasio
Revealing druggable cryptic pockets in the Nsp1 of SARS-CoV-2 and other β-coronaviruses by simulations and crystallography. eLife 11 (2022)
Carlos Noble Jesus, Rhys Evans, Joe Forth, Carolina Estarellas, Francesco Luigi Gervasio, Giuseppe Battaglia
Amphiphilic Histidine-Based Oligopeptides Exhibit pH-Reversible Fibril Formation. ACS macro letters 10 (8) (2021)
Rhys Evans, Ladislav Hovan, Gareth A Tribello, Benjamin P Cossins, Carolina Estarellas, Francesco Luigi Gervasio
Combining Machine Learning and Enhanced Sampling Techniques for Efficient and Accurate Calculation of Absolute Binding Free Energies. Journal of chemical theory and computation 16 (7) (2020)
Carolina Estarellas, Salvatore Scaffidi, Giorgio Saladino, Francesca Spyrakis, Lorella Franzoni, Carles Galdeano, Axel Bidon-Chanal, Francesco Luigi Gervasio, Francisco Javier Luque
Modulating Ligand Dissociation through Methyl Isomerism in Accessory Sites: Binding of Retinol to Cellular Carriers. The journal of physical chemistry letters 10 (23) (2019)
Elnaz Aledavood, Gleiciane Moraes, Jeronimo Lameira, Ana Castro, Francisco Javier Luque, Carolina Estarellas
Understanding the Mechanism of Direct Activation of AMP-Kinase: Toward a Fine Allosteric Tuning of the Kinase Activity. Journal of chemical information and modeling 59 (6) (2019)
Pelayo Camps, David Lozano, Carla Barbaraci, Mercè Font-Bardia, Francisco Javier Luque, Carolina Estarellas
Generation and Reactions of an Octacyclic Hindered Pyramidalized Alkene. The Journal of organic chemistry 83 (10) (2018)
Kranti G Kishore, Ouldouz Ghashghaei, Carolina Estarellas, M Mar Mestre, Cristina Monturiol, Nicola Kielland, John M Kelly, Amanda Fortes Francisco, Shiromani Jayawardhana, Diego Muñoz-Torrero, Belén Pérez, Francisco Javier Luque, Rocío Gámez-Montaño, Rodolfo Lavilla
Insertion of Isocyanides into N-Si Bonds: Multicomponent Reactions with Azines Leading to Potent Antiparasitic Compounds. Angewandte Chemie (International ed. in English) 55 (31) (2016)

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Publication Activity (10 Years)

Top Topics

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Carolina Estarellas