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Divya B. korlepara
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Biomimetic temporal self-assembly via fuel-driven controlled supramolecular polymerization
A Mishra, DB Korlepara, M Kumar, A Jain, N Jonnalagadda, KK Bejagam, ...
Nature communications 9 (1), 1295, 2018
1492018
Bioinspired, ATP-driven co-operative supramolecular polymerization and its pathway dependence
A Mishra, DB Korlepara, S Balasubramanian, SJ George
Chemical communications 56 (10), 1505-1508, 2020
232020
Differentiating the mechanism of self-assembly in supramolecular polymers through computation
DB Korlepara, WR Henderson, RK Castellano, S Balasubramanian
Chemical communications 55 (26), 3773-3776, 2019
222019
Supramolecular Polymerization of N,N′,N″,N‴-tetra-(Tetradecyl)-1,3,6,8-pyrenetetracarboxamide: A Computational Study
DB Korlepara, KK Bejagam, S Balasubramanian
The Journal of Physical Chemistry B 121 (51), 11492-11503, 2017
122017
Plas-5k: Dataset of protein-ligand affinities from molecular dynamics for machine learning applications
DB Korlepara, CS Vasavi, S Jeurkar, PK Pal, S Roy, S Mehta, S Sharma, ...
Scientific data 9 (1), 548, 2022
112022
Molecular modelling of supramolecular one dimensional polymers
DB Korlepara, S Balasubramanian
RSC advances 8 (40), 22659-22669, 2018
112018
Dipolar relaxation in thin films of supramolecular stacks of benzenecarboxamides and insights to enhance their ferroelectric characteristics
DB Korlepara, S Balasubramanian
Physical Chemistry Chemical Physics 23 (4), 3152-3159, 2021
22021
PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications
UD Priyakumar, DB Korlepara, CS Vasavi, R Srivastava, PK Pal, SH Raza, ...
12023
Plas-20k: Extended dataset of protein-ligand affinities from md simulations for machine learning applications
DB Korlepara, V CS, R Srivastava, PK Pal, SH Raza, V Kumar, S Pandit, ...
Scientific Data 11 (1), 180, 2024
2024
Supplementary Information for: PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications
DB Korlepara, CS Vasavi, S Jeurkar, PK Pal, S Roy, S Mehta, S Sharma, ...
Supporting Information: Differentiating the Mechanism of Self-Assembly in Supramolecular Polymers through Computation
DB Korlepara, WR Henderson, RK Castellano, S Balasubramanian
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Articles 1–11