Sinitskiy AV[au] - Search Results

Year	Number of Results
2009	1
2010	1
2011	1
2012	1
2013	1
2014	1
2015	1
2016	1
2017	3
2018	4
2019	1
2023	1
2024	1

1

Predictive Minisci late stage functionalization with transfer learning.

King-Smith E, Faber FA, Reilly U, Sinitskiy AV, Yang Q, Liu B, Hyek D, Lee AA. King-Smith E, et al. Among authors: sinitskiy av. Nat Commun. 2024 Jan 15;15(1):426. doi: 10.1038/s41467-023-42145-1. Nat Commun. 2024. PMID: 38225239 Free PMC article.

2

Quantum mechanics/coarse-grained molecular mechanics (QM/CG-MM).

Sinitskiy AV, Voth GA. Sinitskiy AV, et al. J Chem Phys. 2018 Jan 7;148(1):014102. doi: 10.1063/1.5006810. J Chem Phys. 2018. PMID: 29306280

3

Computationally Discovered Potentiating Role of Glycans on NMDA Receptors.

Sinitskiy AV, Stanley NH, Hackos DH, Hanson JE, Sellers BD, Pande VS. Sinitskiy AV, et al. Sci Rep. 2017 Apr 5;7:44578. doi: 10.1038/srep44578. Sci Rep. 2017. PMID: 28378791 Free PMC article.

4

Can We Quickly Learn to "Translate" Bioactive Molecules with Transformer Models?

Tysinger EP, Rai BK, Sinitskiy AV. Tysinger EP, et al. Among authors: sinitskiy av. J Chem Inf Model. 2023 Mar 27;63(6):1734-1744. doi: 10.1021/acs.jcim.2c01618. Epub 2023 Mar 13. J Chem Inf Model. 2023. PMID: 36914216

5

The Theory of Ultra-Coarse-Graining. 2. Numerical Implementation.

Davtyan A, Dama JF, Sinitskiy AV, Voth GA. Davtyan A, et al. Among authors: sinitskiy av. J Chem Theory Comput. 2014 Dec 9;10(12):5265-75. doi: 10.1021/ct500834t. Epub 2014 Dec 1. J Chem Theory Comput. 2014. PMID: 26583210

6

Cations Stiffen Actin Filaments by Adhering a Key Structural Element to Adjacent Subunits.

Hocky GM, Baker JL, Bradley MJ, Sinitskiy AV, De La Cruz EM, Voth GA. Hocky GM, et al. Among authors: sinitskiy av. J Phys Chem B. 2016 May 26;120(20):4558-67. doi: 10.1021/acs.jpcb.6b02741. Epub 2016 May 13. J Phys Chem B. 2016. PMID: 27146246 Free PMC article.

7

Computer Simulations Predict High Structural Heterogeneity of Functional State of NMDA Receptors.

Sinitskiy AV, Pande VS. Sinitskiy AV, et al. Biophys J. 2018 Sep 4;115(5):841-852. doi: 10.1016/j.bpj.2018.06.023. Epub 2018 Jun 28. Biophys J. 2018. PMID: 30029773 Free PMC article.

8

Highly Coarse-Grained Representations of Transmembrane Proteins.

Madsen JJ, Sinitskiy AV, Li J, Voth GA. Madsen JJ, et al. Among authors: sinitskiy av. J Chem Theory Comput. 2017 Feb 14;13(2):935-944. doi: 10.1021/acs.jctc.6b01076. Epub 2017 Jan 18. J Chem Theory Comput. 2017. PMID: 28043122 Free PMC article.

9

Intradomain Interactions in an NMDA Receptor Fragment Mediate N-Glycan Processing and Conformational Sampling.

Subedi GP, Sinitskiy AV, Roberts JT, Patel KR, Pande VS, Barb AW. Subedi GP, et al. Among authors: sinitskiy av. Structure. 2019 Jan 2;27(1):55-65.e3. doi: 10.1016/j.str.2018.09.010. Epub 2018 Oct 25. Structure. 2019. PMID: 30482728 Free PMC article.

10

The Theory of Ultra-Coarse-Graining. 1. General Principles.

Dama JF, Sinitskiy AV, McCullagh M, Weare J, Roux B, Dinner AR, Voth GA. Dama JF, et al. Among authors: sinitskiy av. J Chem Theory Comput. 2013 May 14;9(5):2466-80. doi: 10.1021/ct4000444. Epub 2013 Apr 10. J Chem Theory Comput. 2013. PMID: 26583735

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