Yu W - Search Results

1

Dendritic Cell-Mediated Cross-Priming by a Bispecific Neutralizing Antibody Boosts Cytotoxic T Cell Responses and Protects Mice against SARS-CoV-2.

Lázaro-Gorines R, Pérez P, Heras-Murillo I, Adán-Barrientos I, Albericio G, Astorgano D, Flores S, Luczkowiak J, Labiod N, Harwood SL, Segura-Tudela A, Rubio-Pérez L, Nugraha Y, Shang X, Li Y, Alfonso C, Adipietro KA, Abeyawardhane DL, Navarro R, Compte M, Yu W, MacKerell AD Jr, Sanz L, Weber DJ, Blanco FJ, Esteban M, Pozharski E, Godoy-Ruiz R, Muñoz IG, Delgado R, Sancho D, García-Arriaza J, Álvarez-Vallina L. Lázaro-Gorines R, et al. Among authors: yu w. Adv Sci (Weinh). 2023 Dec;10(34):e2304818. doi: 10.1002/advs.202304818. Epub 2023 Oct 20. Adv Sci (Weinh). 2023. PMID: 37863812 Free PMC article.

2

Integrated Covalent Drug Design Workflow Using Site Identification by Ligand Competitive Saturation.

Yu W, Weber DJ, MacKerell AD Jr. Yu W, et al. J Chem Theory Comput. 2023 May 23;19(10):3007-3021. doi: 10.1021/acs.jctc.3c00232. Epub 2023 Apr 28. J Chem Theory Comput. 2023. PMID: 37115781

3

Computer-Aided Drug Design Methods.

Yu W, MacKerell AD Jr. Yu W, et al. Methods Mol Biol. 2017;1520:85-106. doi: 10.1007/978-1-4939-6634-9_5. Methods Mol Biol. 2017. PMID: 27873247 Free PMC article.

4

Computer-Aided Drug Design: An Update.

Yu W, Weber DJ, MacKerell AD Jr. Yu W, et al. Methods Mol Biol. 2023;2601:123-152. doi: 10.1007/978-1-0716-2855-3_7. Methods Mol Biol. 2023. PMID: 36445582 Free PMC article.

5

hERG Blockade Prediction by Combining Site Identification by Ligand Competitive Saturation and Physicochemical Properties.

Goel H, Yu W, MacKerell AD Jr. Goel H, et al. Among authors: yu w. Chemistry (Basel). 2022 Sep;4(3):630-646. doi: 10.3390/chemistry4030045. Epub 2022 Jun 21. Chemistry (Basel). 2022. PMID: 36712295 Free PMC article.

6

Specificity of Molecular Fragments Binding to S100B versus S100A1 as Identified by NMR and Site Identification by Ligand Competitive Saturation (SILCS).

Young BD, Yu W, Rodríguez DJV, Varney KM, MacKerell AD Jr, Weber DJ. Young BD, et al. Among authors: yu w. Molecules. 2021 Jan 13;26(2):381. doi: 10.3390/molecules26020381. Molecules. 2021. PMID: 33450915 Free PMC article.

7

Extension of the CHARMM General Force Field to sulfonyl-containing compounds and its utility in biomolecular simulations.

Yu W, He X, Vanommeslaeghe K, MacKerell AD Jr. Yu W, et al. J Comput Chem. 2012 Dec 5;33(31):2451-68. doi: 10.1002/jcc.23067. Epub 2012 Jul 23. J Comput Chem. 2012. PMID: 22821581 Free PMC article.

8

Six-site polarizable model of water based on the classical Drude oscillator.

Yu W, Lopes PE, Roux B, MacKerell AD Jr. Yu W, et al. J Chem Phys. 2013 Jan 21;138(3):034508. doi: 10.1063/1.4774577. J Chem Phys. 2013. PMID: 23343286 Free PMC article.

9

Site-Identification by Ligand Competitive Saturation (SILCS) assisted pharmacophore modeling.

Yu W, Lakkaraju SK, Raman EP, MacKerell AD Jr. Yu W, et al. J Comput Aided Mol Des. 2014 May;28(5):491-507. doi: 10.1007/s10822-014-9728-0. Epub 2014 Mar 8. J Comput Aided Mol Des. 2014. PMID: 24610239 Free PMC article.

10

Exploring protein-protein interactions using the site-identification by ligand competitive saturation methodology.

Yu W, Jo S, Lakkaraju SK, Weber DJ, MacKerell AD Jr. Yu W, et al. Proteins. 2019 Apr;87(4):289-301. doi: 10.1002/prot.25650. Epub 2019 Jan 10. Proteins. 2019. PMID: 30582220 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

15,446 results

Search Page