Priyakumar UD - Search Results

1

Gold-Palladium Nanocluster Catalysts for Homocoupling: Electronic Structure and Interface Dynamics.

Ehara M, Priyakumar UD. Ehara M, et al. Among authors: priyakumar ud. Chem Rec. 2019 May;19(5):947-959. doi: 10.1002/tcr.201800177. Epub 2019 Jan 21. Chem Rec. 2019. PMID: 30663242 Review.

2

Latent Biases in Machine Learning Models for Predicting Binding Affinities Using Popular Data Sets.

Kanakala GC, Aggarwal R, Nayar D, Priyakumar UD. Kanakala GC, et al. Among authors: priyakumar ud. ACS Omega. 2023 Jan 5;8(2):2389-2397. doi: 10.1021/acsomega.2c06781. eCollection 2023 Jan 17. ACS Omega. 2023. PMID: 36687059 Free PMC article.

3

Deep learning enabled inorganic material generator.

Pathak Y , Juneja KS , Varma G , Ehara M , Priyakumar UD . Pathak Y , et al. Among authors: priyakumar ud. Phys Chem Chem Phys. 2020 Dec 7;22(46):26935-26943. doi: 10.1039/d0cp03508d. Phys Chem Chem Phys. 2020. PMID: 33205786

4

Enantioseparation and chiral induction in Ag₂₉ nanoclusters with intrinsic chirality.

Yoshida H, Ehara M, Priyakumar UD, Kawai T, Nakashima T. Yoshida H, et al. Among authors: priyakumar ud. Chem Sci. 2020 Jan 20;11(9):2394-2400. doi: 10.1039/c9sc05299b. Chem Sci. 2020. PMID: 34084402 Free PMC article.

5

Deep reinforcement learning in chemistry: A review.

Sridharan B, Sinha A, Bardhan J, Modee R, Ehara M, Priyakumar UD. Sridharan B, et al. Among authors: priyakumar ud. J Comput Chem. 2024 May 2. doi: 10.1002/jcc.27354. Online ahead of print. J Comput Chem. 2024. PMID: 38698628 Review.

6

Molecular Dynamics Study of the Structure, Flexibility, and Hydrophilicity of PETIM Dendrimers: A Comparison with PAMAM Dendrimers.

Kanchi S, Suresh G, Priyakumar UD, Ayappa KG, Maiti PK. Kanchi S, et al. Among authors: priyakumar ud. J Phys Chem B. 2015 Oct 15;119(41):12990-3001. doi: 10.1021/acs.jpcb.5b07124. Epub 2015 Oct 6. J Phys Chem B. 2015. PMID: 26378813

7

Role of Urea-Aromatic Stacking Interactions in Stabilizing the Aromatic Residues of the Protein in Urea-Induced Denatured State.

Goyal S, Chattopadhyay A, Kasavajhala K, Priyakumar UD. Goyal S, et al. Among authors: priyakumar ud. J Am Chem Soc. 2017 Oct 25;139(42):14931-14946. doi: 10.1021/jacs.7b05463. Epub 2017 Oct 17. J Am Chem Soc. 2017. PMID: 28975780

8

Energetic, Structural and Dynamic Properties of Nucleobase-Urea Interactions that Aid in Urea Assisted RNA Unfolding.

Jaganade T, Chattopadhyay A, Pazhayam NM, Priyakumar UD. Jaganade T, et al. Among authors: priyakumar ud. Sci Rep. 2019 Jun 19;9(1):8805. doi: 10.1038/s41598-019-45010-8. Sci Rep. 2019. PMID: 31217494 Free PMC article.

9

Machine Learning for Accurate Force Calculations in Molecular Dynamics Simulations.

Pattnaik P, Raghunathan S, Kalluri T, Bhimalapuram P, Jawahar CV, Priyakumar UD. Pattnaik P, et al. Among authors: priyakumar ud. J Phys Chem A. 2020 Aug 27;124(34):6954-6967. doi: 10.1021/acs.jpca.0c03926. Epub 2020 Aug 14. J Phys Chem A. 2020. PMID: 32786995

10

MEMES: Machine learning framework for Enhanced MolEcular Screening.

Mehta S, Laghuvarapu S, Pathak Y, Sethi A, Alvala M, Priyakumar UD. Mehta S, et al. Among authors: priyakumar ud. Chem Sci. 2021 Jul 26;12(35):11710-11721. doi: 10.1039/d1sc02783b. eCollection 2021 Sep 15. Chem Sci. 2021. PMID: 34659706 Free PMC article.

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