S10 OD032234/OD/NIH HHS/United States[Grants and Funding] - Search Results

1

Proton-triggered rearrangement of the AMPA receptor N-terminal domains impacts receptor kinetics and synaptic localization.

Ivica J, Kejzar N, Ho H, Stockwell I, Kuchtiak V, Scrutton AM, Nakagawa T, Greger IH. Ivica J, et al. Nat Struct Mol Biol. 2024 Oct;31(10):1601-1613. doi: 10.1038/s41594-024-01369-5. Epub 2024 Aug 13. Nat Struct Mol Biol. 2024. PMID: 39138332 Free PMC article.

2

Recent Advances in Automated Structure-Based De Novo Drug Design.

Tang Y, Moretti R, Meiler J. Tang Y, et al. J Chem Inf Model. 2024 Mar 25;64(6):1794-1805. doi: 10.1021/acs.jcim.4c00247. Epub 2024 Mar 14. J Chem Inf Model. 2024. PMID: 38485516 Free PMC article. Review.

3

Computer-Aided Design and Biological Evaluation of Diazaspirocyclic D₄R Antagonists.

Jones CAH, Brown BP, Schultz DC, Engers J, Kramlinger VM, Meiler J, Lindsley CW. Jones CAH, et al. ACS Chem Neurosci. 2024 Jun 19;15(12):2396-2407. doi: 10.1021/acschemneuro.4c00086. Epub 2024 Jun 7. ACS Chem Neurosci. 2024. PMID: 38847395 Free PMC article.

4

Discovery of Protease-Activated Receptor 4 (PAR4)-Tethered Ligand Antagonists Using Ultralarge Virtual Screening.

Smith ST, Cassada JB, Von Bredow L, Erreger K, Webb EM, Trombley TA, Kalbfleisch JJ, Bender BJ, Zagol-Ikapitte I, Kramlinger VM, Bouchard JL, Mitchell SG, Tretbar M, Shoichet BK, Lindsley CW, Meiler J, Hamm HE. Smith ST, et al. ACS Pharmacol Transl Sci. 2024 Mar 21;7(4):1086-1100. doi: 10.1021/acsptsci.3c00378. eCollection 2024 Apr 12. ACS Pharmacol Transl Sci. 2024. PMID: 38633591

5

IHMCIF: An Extension of the PDBx/mmCIF Data Standard for Integrative Structure Determination Methods.

Vallat B, Webb BM, Westbrook JD, Goddard TD, Hanke CA, Graziadei A, Peisach E, Zalevsky A, Sagendorf J, Tangmunarunkit H, Voinea S, Sekharan M, Yu J, Bonvin AAMJJ, DiMaio F, Hummer G, Meiler J, Tajkhorshid E, Ferrin TE, Lawson CL, Leitner A, Rappsilber J, Seidel CAM, Jeffries CM, Burley SK, Hoch JC, Kurisu G, Morris K, Patwardhan A, Velankar S, Schwede T, Trewhella J, Kesselman C, Berman HM, Sali A. Vallat B, et al. J Mol Biol. 2024 Sep 1;436(17):168546. doi: 10.1016/j.jmb.2024.168546. Epub 2024 Mar 18. J Mol Biol. 2024. PMID: 38508301 Free PMC article.

6

VUStruct: a compute pipeline for high throughput and personalized structural biology.

Moth CW, Sheehan JH, Mamun AA, Sivley RM, Gulsevin A, Rinker D, Capra JA, Meiler J. Moth CW, et al. bioRxiv [Preprint]. 2024 Aug 7:2024.08.06.606224. doi: 10.1101/2024.08.06.606224. bioRxiv. 2024. PMID: 39149406 Free PMC article. Preprint.

7

SuperWater: Predicting Water Molecule Positions on Protein Structures by Generative AI.

Kuang X, Su Z, Liu YL, Lin X, Spencer-Smith J, Derr T, Wu Y, Meiler J. Kuang X, et al. bioRxiv [Preprint]. 2024 Nov 20:2024.11.18.624208. doi: 10.1101/2024.11.18.624208. bioRxiv. 2024. PMID: 39605426 Free PMC article. Preprint.

8

Approximating Projections of Conformational Boltzmann Distributions with AlphaFold2 Predictions: Opportunities and Limitations.

Brown BP, Stein RA, Meiler J, Mchaourab HS. Brown BP, et al. J Chem Theory Comput. 2024 Feb 13;20(3):1434-1447. doi: 10.1021/acs.jctc.3c01081. Epub 2024 Jan 12. J Chem Theory Comput. 2024. PMID: 38215214 Free PMC article.

9

MUTATIONEXPLORER- A WEBSERVER FOR MUTATION OF PROTEINS AND 3D VISUALIZATION OF ENERGETIC IMPACTS.

Philipp M, Moth CW, Ristic N, Tiemann JKS, Seufert F, Panfilova A, Meiler J, Hildebrand PW, Stein A, Wiegreffe D, Staritzbichler R. Philipp M, et al. bioRxiv [Preprint]. 2024 Feb 28:2023.03.23.533926. doi: 10.1101/2023.03.23.533926. bioRxiv. 2024. Update in: Nucleic Acids Res. 2024 Jul 5;52(W1):W132-W139. doi: 10.1093/nar/gkae301 PMID: 38464310 Free PMC article. Updated. Preprint.

10

Machine learning application to predict binding affinity between peptide containing non-canonical amino acids and HLA0201.

Jiang S, Su Z, Bloodworth N, Liu Y, Martina C, Harrison DG, Meiler J. Jiang S, et al. bioRxiv [Preprint]. 2024 Nov 21:2024.11.19.624425. doi: 10.1101/2024.11.19.624425. bioRxiv. 2024. PMID: 39605664 Free PMC article. Preprint.

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