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 | 171 | 2018 |
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 | 25 | 2019 |
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 | 24 | 2020 |
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 | 15 | 2022 |
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 | 13 | 2017 |
Molecular modelling of supramolecular one dimensional polymers DB Korlepara, S Balasubramanian RSC advances 8 (40), 22659-22669, 2018 | 11 | 2018 |
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 | 3 | 2024 |
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 | 3 | 2021 |
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, ... | 1 | 2023 |
Author Correction: PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications DB Korlepara, CS Vasavi, R Srivastava, PK Pal, SH Raza, V Kumar, ... Scientific Data 11 (1), 730, 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 | | |