Beck DAC - Search Results

1

Efficient 3D Molecular Design with an E(3) Invariant Transformer VAE.

Dollar O, Joshi N, Pfaendtner J, Beck DAC. Dollar O, et al. Among authors: beck dac. J Phys Chem A. 2023 Sep 21;127(37):7844-7852. doi: 10.1021/acs.jpca.3c04188. Epub 2023 Sep 5. J Phys Chem A. 2023. PMID: 37670244

2

Continuous Molecular Representations of Ionic Liquids.

Beckner W, Ashraf C, Lee J, Beck DAC, Pfaendtner J. Beckner W, et al. Among authors: beck dac. J Phys Chem B. 2020 Sep 24;124(38):8347-8357. doi: 10.1021/acs.jpcb.0c05938. Epub 2020 Sep 9. J Phys Chem B. 2020. PMID: 32833453

3

Data Science in Chemical Engineering: Applications to Molecular Science.

Ashraf C, Joshi N, Beck DAC, Pfaendtner J. Ashraf C, et al. Among authors: beck dac. Annu Rev Chem Biomol Eng. 2021 Jun 7;12:15-37. doi: 10.1146/annurev-chembioeng-101220-102232. Epub 2021 Mar 12. Annu Rev Chem Biomol Eng. 2021. PMID: 33710940

4

Attention-based generative models for de novo molecular design.

Dollar O, Joshi N, Beck DAC, Pfaendtner J. Dollar O, et al. Among authors: beck dac. Chem Sci. 2021 May 14;12(24):8362-8372. doi: 10.1039/d1sc01050f. Chem Sci. 2021. PMID: 34221317 Free PMC article.

5

Quick and Accurate Estimates of Mutation Effects on Transition-State Stabilization of Enzymes from Molecular Simulations with Restrained Transition States.

Burgin T, Pfaendtner J, Beck DAC. Burgin T, et al. Among authors: beck dac. J Phys Chem B. 2022 Dec 8;126(48):9964-9970. doi: 10.1021/acs.jpcb.2c04802. Epub 2022 Nov 22. J Phys Chem B. 2022. PMID: 36413982

6

A microscopic view of peptide and protein solvation.

Beck DA, Alonso DO, Daggett V. Beck DA, et al. Biophys Chem. 2003;100(1-3):221-37. doi: 10.1016/s0301-4622(02)00283-1. Biophys Chem. 2003. PMID: 12646368

7

Implementation of 3D spatial indexing and compression in a large-scale molecular dynamics simulation database for rapid atomic contact detection.

Toofanny RD, Simms AM, Beck DA, Daggett V. Toofanny RD, et al. BMC Bioinformatics. 2011 Aug 10;12:334. doi: 10.1186/1471-2105-12-334. BMC Bioinformatics. 2011. PMID: 21831299 Free PMC article.

8

Dynameomics: data-driven methods and models for utilizing large-scale protein structure repositories for improving fragment-based loop prediction.

Rysavy SJ, Beck DA, Daggett V. Rysavy SJ, et al. Protein Sci. 2014 Nov;23(11):1584-95. doi: 10.1002/pro.2537. Epub 2014 Sep 3. Protein Sci. 2014. PMID: 25142412 Free PMC article.

9

Water-Accelerated Photooxidation of CH₃NH₃PbI₃ Perovskite.

Siegler TD, Dunlap-Shohl WA, Meng Y, Yang Y, Kau WF, Sunkari PP, Tsai CE, Armstrong ZJ, Chen YC, Beck DAC, Meilă M, Hillhouse HW. Siegler TD, et al. Among authors: beck dac. J Am Chem Soc. 2022 Mar 30;144(12):5552-5561. doi: 10.1021/jacs.2c00391. Epub 2022 Mar 17. J Am Chem Soc. 2022. PMID: 35296136

10

Mass-Suite: a novel open-source python package for high-resolution mass spectrometry data analysis.

Hu X, Mar D, Suzuki N, Zhang B, Peter KT, Beck DAC, Kolodziej EP. Hu X, et al. Among authors: beck dac. J Cheminform. 2023 Sep 23;15(1):87. doi: 10.1186/s13321-023-00741-9. J Cheminform. 2023. PMID: 37741995 Free PMC article.

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