Artur Meller - Search Results

Year	Number of Results
2016	1
2020	2
2021	3
2022	1
2023	8
2024	2

1

Accelerating Cryptic Pocket Discovery Using AlphaFold.

Meller A, Bhakat S, Solieva S, Bowman GR. Meller A, et al. J Chem Theory Comput. 2023 Jul 25;19(14):4355-4363. doi: 10.1021/acs.jctc.2c01189. Epub 2023 Mar 22. J Chem Theory Comput. 2023. PMID: 36948209 Free PMC article.

2

Discovery of a cryptic pocket in the AI-predicted structure of PPM1D phosphatase explains the binding site and potency of its allosteric inhibitors.

Meller A, De Oliveira S, Davtyan A, Abramyan T, Bowman GR, van den Bedem H. Meller A, et al. Front Mol Biosci. 2023 Apr 18;10:1171143. doi: 10.3389/fmolb.2023.1171143. eCollection 2023. Front Mol Biosci. 2023. PMID: 37143823 Free PMC article.

3

Functional divergence of the sarcomeric myosin, MYH7b, supports species-specific biological roles.

Lee LA, Barrick SK, Meller A, Walklate J, Lotthammer JM, Tay JW, Stump WT, Bowman G, Geeves MA, Greenberg MJ, Leinwand LA. Lee LA, et al. Among authors: meller a. J Biol Chem. 2023 Jan;299(1):102657. doi: 10.1016/j.jbc.2022.102657. Epub 2022 Nov 9. J Biol Chem. 2023. PMID: 36334627 Free PMC article.

4

Toward physics-based precision medicine: Exploiting protein dynamics to design new therapeutics and interpret variants.

Meller A, Kelly D, Smith LG, Bowman GR. Meller A, et al. Protein Sci. 2024 Mar;33(3):e4902. doi: 10.1002/pro.4902. Protein Sci. 2024. PMID: 38358129 Free PMC article. Review.

5

Predicting locations of cryptic pockets from single protein structures using the PocketMiner graph neural network.

Meller A, Ward M, Borowsky J, Kshirsagar M, Lotthammer JM, Oviedo F, Ferres JL, Bowman GR. Meller A, et al. Nat Commun. 2023 Mar 1;14(1):1177. doi: 10.1038/s41467-023-36699-3. Nat Commun. 2023. PMID: 36859488 Free PMC article.

6

Conformational distributions of isolated myosin motor domains encode their mechanochemical properties.

Porter JR, Meller A, Zimmerman MI, Greenberg MJ, Bowman GR. Porter JR, et al. Among authors: meller a. Elife. 2020 May 29;9:e55132. doi: 10.7554/eLife.55132. Elife. 2020. PMID: 32479265 Free PMC article.

7

SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome.

Zimmerman MI, Porter JR, Ward MD, Singh S, Vithani N, Meller A, Mallimadugula UL, Kuhn CE, Borowsky JH, Wiewiora RP, Hurley MFD, Harbison AM, Fogarty CA, Coffland JE, Fadda E, Voelz VA, Chodera JD, Bowman GR. Zimmerman MI, et al. Among authors: meller a. Nat Chem. 2021 Jul;13(7):651-659. doi: 10.1038/s41557-021-00707-0. Epub 2021 May 24. Nat Chem. 2021. PMID: 34031561 Free PMC article.

8

Drug specificity and affinity are encoded in the probability of cryptic pocket opening in myosin motor domains.

Meller A, Lotthammer JM, Smith LG, Novak B, Lee LA, Kuhn CC, Greenberg L, Leinwand LA, Greenberg MJ, Bowman GR. Meller A, et al. Elife. 2023 Jan 27;12:e83602. doi: 10.7554/eLife.83602. Elife. 2023. PMID: 36705568 Free PMC article.

9

Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets.

Ward MD, Zimmerman MI, Meller A, Chung M, Swamidass SJ, Bowman GR. Ward MD, et al. Among authors: meller a. Nat Commun. 2021 May 21;12(1):3023. doi: 10.1038/s41467-021-23246-1. Nat Commun. 2021. PMID: 34021153 Free PMC article.

10

Homologous mutations in

β

, embryonic, and perinatal muscle myosins have divergent effects on molecular power generation.

Liu C, Karabina A, Meller A, Bhattacharjee A, Agostino CJ, Bowman GR, Ruppel KM, Spudich JA, Leinwand LA. Liu C, et al. Among authors: meller a. bioRxiv [Preprint]. 2023 Jul 2:2023.07.02.547385. doi: 10.1101/2023.07.02.547385. bioRxiv. 2023. PMID: 37425764 Free PMC article. Updated. Preprint.

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