Gervasio FL - Search Results

1

Subcellular location defines GPCR signal transduction.

Radoux-Mergault A, Oberhauser L, Aureli S, Gervasio FL, Stoeber M. Radoux-Mergault A, et al. Among authors: gervasio fl. Sci Adv. 2023 Apr 21;9(16):eadf6059. doi: 10.1126/sciadv.adf6059. Epub 2023 Apr 19. Sci Adv. 2023. PMID: 37075112 Free PMC article.

2

The action of physiological and synthetic steroids on the calcium channel CatSper in human sperm.

Wehrli L, Galdadas I, Voirol L, Smieško M, Cambet Y, Jaquet V, Guerrier S, Gervasio FL, Nef S, Rahban R. Wehrli L, et al. Among authors: gervasio fl. Front Cell Dev Biol. 2023 Jul 20;11:1221578. doi: 10.3389/fcell.2023.1221578. eCollection 2023. Front Cell Dev Biol. 2023. PMID: 37547474 Free PMC article.

3

SWISH-X, an Expanded Approach to Detect Cryptic Pockets in Proteins and at Protein-Protein Interfaces.

Borsatto A, Gianquinto E, Rizzi V, Gervasio FL. Borsatto A, et al. Among authors: gervasio fl. J Chem Theory Comput. 2024 Apr 23;20(8):3335-3348. doi: 10.1021/acs.jctc.3c01318. Epub 2024 Apr 2. J Chem Theory Comput. 2024. PMID: 38563746 Free PMC article.

4

Drug-resistant EGFR mutations promote lung cancer by stabilizing interfaces in ligand-free kinase-active EGFR oligomers.

Iyer RS, Needham SR, Galdadas I, Davis BM, Roberts SK, Man RCH, Zanetti-Domingues LC, Clarke DT, Fruhwirth GO, Parker PJ, Rolfe DJ, Gervasio FL, Martin-Fernandez ML. Iyer RS, et al. Among authors: gervasio fl. Nat Commun. 2024 Mar 19;15(1):2130. doi: 10.1038/s41467-024-46284-x. Nat Commun. 2024. PMID: 38503739 Free PMC article.

5

Determinants of Neutral Antagonism and Inverse Agonism in the β₂-Adrenergic Receptor.

Calderón JC, Ibrahim P, Gobbo D, Gervasio FL, Clark T. Calderón JC, et al. Among authors: gervasio fl. J Chem Inf Model. 2024 Mar 25;64(6):2045-2057. doi: 10.1021/acs.jcim.3c01763. Epub 2024 Mar 6. J Chem Inf Model. 2024. PMID: 38447156

6

Addressing Suboptimal Poses in Nonequilibrium Alchemical Calculations.

Karrenbrock M, Rizzi V, Procacci P, Gervasio FL. Karrenbrock M, et al. Among authors: gervasio fl. J Phys Chem B. 2024 Feb 22;128(7):1595-1605. doi: 10.1021/acs.jpcb.3c06516. Epub 2024 Feb 7. J Phys Chem B. 2024. PMID: 38323915

7

Extended Metadynamics Protocol for Binding/Unbinding Free Energies of Peptide Ligands to Class A G-Protein-Coupled Receptors.

Calderón JC, Plut E, Keller M, Cabrele C, Reiser O, Gervasio FL, Clark T. Calderón JC, et al. Among authors: gervasio fl. J Chem Inf Model. 2024 Jan 8;64(1):205-218. doi: 10.1021/acs.jcim.3c01574. Epub 2023 Dec 27. J Chem Inf Model. 2024. PMID: 38150388

8

Activation/Deactivation Free-Energy Profiles for the β₂-Adrenergic Receptor: Ligand Modes of Action.

Calderón JC, Ibrahim P, Gobbo D, Gervasio FL, Clark T. Calderón JC, et al. Among authors: gervasio fl. J Chem Inf Model. 2023 Oct 23;63(20):6332-6343. doi: 10.1021/acs.jcim.3c00805. Epub 2023 Oct 12. J Chem Inf Model. 2023. PMID: 37824365

9

Architecture of the MKK6-p38α complex defines the basis of MAPK specificity and activation.

Juyoux P, Galdadas I, Gobbo D, von Velsen J, Pelosse M, Tully M, Vadas O, Gervasio FL, Pellegrini E, Bowler MW. Juyoux P, et al. Among authors: gervasio fl. Science. 2023 Sep 15;381(6663):1217-1225. doi: 10.1126/science.add7859. Epub 2023 Sep 14. Science. 2023. PMID: 37708276 Free PMC article.

10

OneOPES, a Combined Enhanced Sampling Method to Rule Them All.

Rizzi V, Aureli S, Ansari N, Gervasio FL. Rizzi V, et al. Among authors: gervasio fl. J Chem Theory Comput. 2023 Sep 12;19(17):5731-5742. doi: 10.1021/acs.jctc.3c00254. Epub 2023 Aug 21. J Chem Theory Comput. 2023. PMID: 37603295 Free PMC article.

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