Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Additional filters

Article Language

Species

Sex

Age

Other

Search Results

111 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Publication Date timeline is not available.
Page 1
Publisher Correction: GPCRmd uncovers the dynamics of the 3D-GPCRome.
Rodríguez-Espigares I, Torrens-Fontanals M, Tiemann JKS, Aranda-García D, Ramírez-Anguita JM, Stepniewski TM, Worp N, Varela-Rial A, Morales-Pastor A, Medel-Lacruz B, Pándy-Szekeres G, Mayol E, Giorgino T, Carlsson J, Deupi X, Filipek S, Filizola M, Gómez-Tamayo JC, Gonzalez A, Gutiérrez-de-Terán H, Jiménez-Rosés M, Jespers W, Kapla J, Khelashvili G, Kolb P, Latek D, Marti-Solano M, Matricon P, Matsoukas MT, Miszta P, Olivella M, Perez-Benito L, Provasi D, Ríos S, R Torrecillas I, Sallander J, Sztyler A, Vasile S, Weinstein H, Zachariae U, Hildebrand PW, De Fabritiis G, Sanz F, Gloriam DE, Cordomi A, Guixà-González R, Selent J. Rodríguez-Espigares I, et al. Among authors: de fabritiis g. Nat Methods. 2020 Aug;17(8):861-862. doi: 10.1038/s41592-020-0928-3. Nat Methods. 2020. PMID: 32704182
GPCRmd uncovers the dynamics of the 3D-GPCRome.
Rodríguez-Espigares I, Torrens-Fontanals M, Tiemann JKS, Aranda-García D, Ramírez-Anguita JM, Stepniewski TM, Worp N, Varela-Rial A, Morales-Pastor A, Medel-Lacruz B, Pándy-Szekeres G, Mayol E, Giorgino T, Carlsson J, Deupi X, Filipek S, Filizola M, Gómez-Tamayo JC, Gonzalez A, Gutiérrez-de-Terán H, Jiménez-Rosés M, Jespers W, Kapla J, Khelashvili G, Kolb P, Latek D, Marti-Solano M, Matricon P, Matsoukas MT, Miszta P, Olivella M, Perez-Benito L, Provasi D, Ríos S, R Torrecillas I, Sallander J, Sztyler A, Vasile S, Weinstein H, Zachariae U, Hildebrand PW, De Fabritiis G, Sanz F, Gloriam DE, Cordomi A, Guixà-González R, Selent J. Rodríguez-Espigares I, et al. Among authors: de fabritiis g. Nat Methods. 2020 Aug;17(8):777-787. doi: 10.1038/s41592-020-0884-y. Epub 2020 Jul 13. Nat Methods. 2020. PMID: 32661425
DeltaDelta neural networks for lead optimization of small molecule potency.
Jiménez-Luna J, Pérez-Benito L, Martínez-Rosell G, Sciabola S, Torella R, Tresadern G, De Fabritiis G. Jiménez-Luna J, et al. Among authors: de fabritiis g. Chem Sci. 2019 Oct 16;10(47):10911-10918. doi: 10.1039/c9sc04606b. eCollection 2019 Dec 21. Chem Sci. 2019. PMID: 32190246 Free PMC article.
ACEGEN: Reinforcement Learning of Generative Chemical Agents for Drug Discovery.
Bou A, Thomas M, Dittert S, Navarro C, Majewski M, Wang Y, Patel S, Tresadern G, Ahmad M, Moens V, Sherman W, Sciabola S, De Fabritiis G. Bou A, et al. Among authors: de fabritiis g. J Chem Inf Model. 2024 Aug 12;64(15):5900-5911. doi: 10.1021/acs.jcim.4c00895. Epub 2024 Aug 2. J Chem Inf Model. 2024. PMID: 39092857 Free PMC article.
Shape-Based Generative Modeling for de Novo Drug Design.
Skalic M, Jiménez J, Sabbadin D, De Fabritiis G. Skalic M, et al. Among authors: de fabritiis g. J Chem Inf Model. 2019 Mar 25;59(3):1205-1214. doi: 10.1021/acs.jcim.8b00706. Epub 2019 Feb 28. J Chem Inf Model. 2019. PMID: 30762364
111 results