Estarellas C - Search Results

1

Amphiphilic Histidine-Based Oligopeptides Exhibit pH-Reversible Fibril Formation.

Noble Jesus C, Evans R, Forth J, Estarellas C, Gervasio FL, Battaglia G. Noble Jesus C, et al. Among authors: estarellas c. ACS Macro Lett. 2021 Aug 17;10(8):984-989. doi: 10.1021/acsmacrolett.1c00142. Epub 2021 Jul 15. ACS Macro Lett. 2021. PMID: 34422455 Free PMC article.

2

Modulating Ligand Dissociation through Methyl Isomerism in Accessory Sites: Binding of Retinol to Cellular Carriers.

Estarellas C, Scaffidi S, Saladino G, Spyrakis F, Franzoni L, Galdeano C, Bidon-Chanal A, Gervasio FL, Luque FJ. Estarellas C, et al. J Phys Chem Lett. 2019 Dec 5;10(23):7333-7339. doi: 10.1021/acs.jpclett.9b02861. Epub 2019 Nov 14. J Phys Chem Lett. 2019. PMID: 31714784 Free article.

3

Combining Machine Learning and Enhanced Sampling Techniques for Efficient and Accurate Calculation of Absolute Binding Free Energies.

Evans R, Hovan L, Tribello GA, Cossins BP, Estarellas C, Gervasio FL. Evans R, et al. Among authors: estarellas c. J Chem Theory Comput. 2020 Jul 14;16(7):4641-4654. doi: 10.1021/acs.jctc.0c00075. Epub 2020 Jun 4. J Chem Theory Comput. 2020. PMID: 32427471 Free PMC article.

4

Concurrent mutations in RNA-dependent RNA polymerase and spike protein emerged as the epidemiologically most successful SARS-CoV-2 variant.

Ilmjärv S, Abdul F, Acosta-Gutiérrez S, Estarellas C, Galdadas I, Casimir M, Alessandrini M, Gervasio FL, Krause KH. Ilmjärv S, et al. Among authors: estarellas c. Sci Rep. 2021 Jul 1;11(1):13705. doi: 10.1038/s41598-021-91662-w. Sci Rep. 2021. PMID: 34210996 Free PMC article.

5

Revealing druggable cryptic pockets in the Nsp1 of SARS-CoV-2 and other β-coronaviruses by simulations and crystallography.

Borsatto A, Akkad O, Galdadas I, Ma S, Damfo S, Haider S, Kozielski F, Estarellas C, Gervasio FL. Borsatto A, et al. Among authors: estarellas c. Elife. 2022 Nov 22;11:e81167. doi: 10.7554/eLife.81167. Elife. 2022. PMID: 36412088 Free PMC article.

6

Stereocontrolled Annulations of Indolo[2,3-a]quinolizidine-Derived Lactams with a Silylated Nazarov Reagent: Access to Allo and Epiallo Yohimbine-Type Derivatives.

Arioli F, Pérez M, Are C, Estarellas C, Luque FJ, Bosch J, Amat M. Arioli F, et al. Among authors: estarellas c. Chemistry. 2015 Sep 14;21(38):13382-9. doi: 10.1002/chem.201501912. Chemistry. 2015. PMID: 26332232 Free article.

7

Short Access to Belt Compounds with Spatially Close C=C Bonds and Their Transannular Reactions.

Camps P, Gómez T, Otermin A, Font-Bardia M, Estarellas C, Luque FJ. Camps P, et al. Among authors: estarellas c. Chemistry. 2015 Sep 28;21(40):14036-46. doi: 10.1002/chem.201502351. Chemistry. 2015. PMID: 26376331

8

Insertion of Isocyanides into N-Si Bonds: Multicomponent Reactions with Azines Leading to Potent Antiparasitic Compounds.

Kishore KG, Ghashghaei O, Estarellas C, Mestre MM, Monturiol C, Kielland N, Kelly JM, Francisco AF, Jayawardhana S, Muñoz-Torrero D, Pérez B, Luque FJ, Gámez-Montaño R, Lavilla R. Kishore KG, et al. Among authors: estarellas c. Angew Chem Int Ed Engl. 2016 Jul 25;55(31):8994-8. doi: 10.1002/anie.201604109. Epub 2016 Jun 17. Angew Chem Int Ed Engl. 2016. PMID: 27314630

9

Structural Plasticity in Globins: Role of Protein Dynamics in Defining Ligand Migration Pathways.

Estarellas C, Capece L, Seira C, Bidon-Chanal A, Estrin DA, Luque FJ. Estarellas C, et al. Adv Protein Chem Struct Biol. 2016;105:59-80. doi: 10.1016/bs.apcsb.2016.07.002. Epub 2016 Jul 29. Adv Protein Chem Struct Biol. 2016. PMID: 27567484 Review.

10

Identification and Characterization of a Secondary Sodium-Binding Site and the Main Selectivity Determinants in the Human Concentrative Nucleoside Transporter 3.

Arimany-Nardi C, Claudio-Montero A, Viel-Oliva A, Schmidtke P, Estarellas C, Barril X, Bidon-Chanal A, Pastor-Anglada M. Arimany-Nardi C, et al. Among authors: estarellas c. Mol Pharm. 2017 Jun 5;14(6):1980-1987. doi: 10.1021/acs.molpharmaceut.7b00085. Epub 2017 May 9. Mol Pharm. 2017. PMID: 28441873

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