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Biomimetic temporal self-assembly via fuel-driven controlled supramolecular polymerization.
Nat Commun. 2018 Mar 30;9(1):1295. doi: 10.1038/s41467-018-03542-z.
Nat Commun. 2018.
PMID: 29602946
Free PMC article.
Bioinspired, ATP-driven co-operative supramolecular polymerization and its pathway dependence.
Mishra A , Korlepara DB , Balasubramanian S , George SJ .
Mishra A , et al. Among authors: korlepara db.
Chem Commun (Camb). 2020 Feb 4;56(10):1505-1508. doi: 10.1039/c9cc08790g.
Chem Commun (Camb). 2020.
PMID: 31917382
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Supramolecular Polymerization of N,N',N″,N‴-tetra-(Tetradecyl)-1,3,6,8-pyrenetetracarboxamide: A Computational Study.
Korlepara DB, Bejagam KK, Balasubramanian S.
Korlepara DB, et al.
J Phys Chem B. 2017 Dec 28;121(51):11492-11503. doi: 10.1021/acs.jpcb.7b10171. Epub 2017 Dec 8.
J Phys Chem B. 2017.
PMID: 29185756
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Differentiating the mechanism of self-assembly in supramolecular polymers through computation.
Korlepara DB , Henderson WR , Castellano RK , Balasubramanian S .
Korlepara DB , et al.
Chem Commun (Camb). 2019 Mar 26;55(26):3773-3776. doi: 10.1039/c9cc01058k.
Chem Commun (Camb). 2019.
PMID: 30864578
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Dipolar relaxation in thin films of supramolecular stacks of benzenecarboxamides and insights to enhance their ferroelectric characteristics.
Korlepara DB, Balasubramanian S.
Korlepara DB, et al.
Phys Chem Chem Phys. 2021 Feb 4;23(4):3152-3159. doi: 10.1039/d0cp05239f.
Phys Chem Chem Phys. 2021.
PMID: 33496287
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Molecular modelling of supramolecular one dimensional polymers.
Korlepara DB, Balasubramanian S.
Korlepara DB, et al.
RSC Adv. 2018 Jun 20;8(40):22659-22669. doi: 10.1039/c8ra03402h. eCollection 2018 Jun 19.
RSC Adv. 2018.
PMID: 35539740
Free PMC article.
Review.
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PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications.
Korlepara DB, Vasavi CS, Jeurkar S, Pal PK, Roy S, Mehta S, Sharma S, Kumar V, Muvva C, Sridharan B, Garg A, Modee R, Bhati AP, Nayar D, Priyakumar UD.
Korlepara DB, et al.
Sci Data. 2022 Sep 7;9(1):548. doi: 10.1038/s41597-022-01631-9.
Sci Data. 2022.
PMID: 36071074
Free PMC article.
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PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications.
Korlepara DB, C S V, Srivastava R, Pal PK, Raza SH, Kumar V, Pandit S, Nair AG, Pandey S, Sharma S, Jeurkar S, Thakran K, Jaglan R, Verma S, Ramachandran I, Chatterjee P, Nayar D, Priyakumar UD.
Korlepara DB, et al.
Sci Data. 2024 Feb 9;11(1):180. doi: 10.1038/s41597-023-02872-y.
Sci Data. 2024.
PMID: 38336857
Free PMC article.
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