Pandiyan S - Search Results

1

Performance Evaluation of Nonacosan-10-ol-Based Polyethylene Packaging Material Using Molecular Dynamics Simulations.

Madhuranthakam CMR, Pandiyan S, Penlidis A. Madhuranthakam CMR, et al. Among authors: pandiyan s. Polymers (Basel). 2022 Apr 27;14(9):1779. doi: 10.3390/polym14091779. Polymers (Basel). 2022. PMID: 35566946 Free PMC article.

2

Coarse-grained molecular dynamics simulations of polymerization with forward and backward reactions.

Krajniak J, Zhang Z, Pandiyan S, Nies E, Samaey G. Krajniak J, et al. Among authors: pandiyan s. J Comput Chem. 2018 Aug 15;39(22):1764-1778. doi: 10.1002/jcc.25348. Epub 2018 Jun 11. J Comput Chem. 2018. PMID: 29888499

3

Reverse mapping method for complex polymer systems.

Krajniak J, Zhang Z, Pandiyan S, Nies E, Samaey G. Krajniak J, et al. Among authors: pandiyan s. J Comput Chem. 2018 Apr 30;39(11):648-664. doi: 10.1002/jcc.25129. Epub 2017 Dec 6. J Comput Chem. 2018. PMID: 29214661

4

Generic Adaptive Resolution Method for Reverse Mapping of Polymers from Coarse-Grained to Atomistic Descriptions.

Krajniak J, Pandiyan S, Nies E, Samaey G. Krajniak J, et al. Among authors: pandiyan s. J Chem Theory Comput. 2016 Nov 8;12(11):5549-5562. doi: 10.1021/acs.jctc.6b00595. Epub 2016 Oct 19. J Chem Theory Comput. 2016. PMID: 27685340

5

Localized In Situ Nanoemulgel Drug Delivery System of Quercetin for Periodontitis: Development and Computational Simulations.

Aithal GC, Nayak UY, Mehta C, Narayan R, Gopalkrishna P, Pandiyan S, Garg S. Aithal GC, et al. Among authors: pandiyan s. Molecules. 2018 Jun 6;23(6):1363. doi: 10.3390/molecules23061363. Molecules. 2018. PMID: 29882751 Free PMC article.

6

In-silico design of novel potential HDAC inhibitors from indazole derivatives targeting breast cancer through QSAR, molecular docking and pharmacokinetics studies.

Pandiyan S, Wang L. Pandiyan S, et al. Comput Biol Chem. 2024 Jun;110:108035. doi: 10.1016/j.compbiolchem.2024.108035. Epub 2024 Feb 25. Comput Biol Chem. 2024. PMID: 38460437

7

SG-ATT: A Sequence Graph Cross-Attention Representation Architecture for Molecular Property Prediction.

Hao Y, Chen X, Fei A, Jia Q, Chen Y, Shao J, Pandiyan S, Wang L. Hao Y, et al. Among authors: pandiyan s. Molecules. 2024 Jan 19;29(2):492. doi: 10.3390/molecules29020492. Molecules. 2024. PMID: 38276570 Free PMC article.

8

FOTF-CPI: A compound-protein interaction prediction transformer based on the fusion of optimal transport fragments.

Yin Z, Chen Y, Hao Y, Pandiyan S, Shao J, Wang L. Yin Z, et al. Among authors: pandiyan s. iScience. 2023 Dec 15;27(1):108756. doi: 10.1016/j.isci.2023.108756. eCollection 2024 Jan 19. iScience. 2023. PMID: 38230261 Free PMC article.

9

Study of Water Sorption in Methacryl-Based Polyhedral Oligomeric Silsesquioxane (POSS) Dental Composites Using Molecular Dynamics Simulations.

Madhuranthakam CMR, Pandiyan S, Chaalal O, Elkamel A. Madhuranthakam CMR, et al. Among authors: pandiyan s. Polymers (Basel). 2023 Oct 20;15(20):4161. doi: 10.3390/polym15204161. Polymers (Basel). 2023. PMID: 37896405 Free PMC article.

10

Analysis of YouTube content on substance use disorder treatment and recovery.

Raj S, Ghosh A, Pandiyan S, Chauhan D, Goel S. Raj S, et al. Among authors: pandiyan s. Int J Soc Psychiatry. 2023 Dec;69(8):2097-2109. doi: 10.1177/00207640231190304. Epub 2023 Aug 31. Int J Soc Psychiatry. 2023. PMID: 37650472

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