| Human aminolevulinate synthase structure reveals a eukaryotic-specific autoinhibitory loop regulating substrate binding and product release HJ Bailey, GA Bezerra, JR Marcero, S Padhi, WR Foster, E Rembeza, ... Nature communications 11 (1), 2813, 2020 | 30 | 2020 |
| Molecular dynamics simulations reveal the HIV-1 Vpu transmembrane protein to form stable pentamers S Padhi, N Khan, S Jameel, UD Priyakumar PloS one 8 (11), e79779, 2013 | 30 | 2013 |
| Cholic acid-derived amphiphile which combats gram-positive bacteria-mediated infections via disintegration of lipid clusters S Kumar, J Thakur, K Yadav, M Mitra, S Pal, A Ray, S Gupta, N Medatwal, ... ACS Biomaterials Science & Engineering 5 (9), 4764-4775, 2019 | 22 | 2019 |
| Urea mimics nucleobases by preserving the helical integrity of B-DNA duplexes via hydrogen bonding and stacking interactions G Suresh, S Padhi, I Patil, UD Priyakumar Biochemistry 55 (40), 5653-5664, 2016 | 18 | 2016 |
| Microsecond simulation of human aquaporin 2 reveals structural determinants of water permeability and selectivity S Padhi, UD Priyakumar Biochimica et Biophysica Acta (BBA)-Biomembranes 1859 (1), 10-16, 2017 | 17 | 2017 |
| TPP riboswitch aptamer: Role of Mg2+ ions, ligand unbinding, and allostery S Padhi, M Pradhan, N Bung, A Roy, G Bulusu Journal of Molecular Graphics and Modelling 88, 282-291, 2019 | 13 | 2019 |
| Temperature dependence of the stability of ion pair interactions, and its implications on the thermostability of proteins from thermophiles S Bikkina, AP Bhati, S Padhi, UD Priyakumar Journal of Chemical Sciences 129, 405-414, 2017 | 13 | 2017 |
| Urea–aromatic stacking and concerted urea transport: conserved mechanisms in urea transporters revealed by molecular dynamics S Padhi, UD Priyakumar Journal of Chemical Theory and Computation 12 (10), 5190-5200, 2016 | 11 | 2016 |
| Atomistic detailed mechanism and weak cation-conducting activity of HIV-1 Vpu revealed by free energy calculations S Padhi, RR Burri, S Jameel, UD Priyakumar PloS one 9 (11), e112983, 2014 | 10 | 2014 |
| Ion hydration dynamics in conjunction with a hydrophobic gating mechanism regulates ion permeation in p7 viroporin from hepatitis C virus S Padhi, UD Priyakumar The Journal of Physical Chemistry B 119 (20), 6204-6210, 2015 | 8 | 2015 |
| Selectivity and transport in aquaporins from molecular simulation studies S Padhi, UD Priyakumar Vitamins and Hormones 112, 47-70, 2020 | 7 | 2020 |
| Elucidation of DNA repair function of PfBlm and potentiation of artemisinin action by a small-molecule inhibitor of RecQ helicase N Suthram, S Padhi, P Jha, S Bhattacharyya, G Bulusu, A Roy, ... Msphere 5 (6), 10.1128/msphere. 00956-20, 2020 | 5 | 2020 |
| Modeling the structure of SARS 3a transmembrane protein using a minimum unfavorable contact approach S Ramakrishna, S Padhi, UD Priyakumar Journal of Chemical Sciences 127, 2159-2169, 2015 | 5 | 2015 |
| Prediction of the structures of helical membrane proteins based on a minimum unfavorable contacts approach S Padhi, S Ramakrishna, UD Priyakumar Journal of computational chemistry 36 (8), 539-552, 2015 | 5 | 2015 |
| pH-mediated gating and formate transport mechanism in the Escherichia coli formate channel S Padhi, LK Reddy, UD Priyakumar Molecular Simulation 43 (13-16), 1300-1306, 2017 | 4 | 2017 |
| Cooperation of hydrophobic gating, knock-on effect, and ion binding determines ion selectivity in the p7 Channel S Padhi, UD Priyakumar The Journal of Physical Chemistry B 120 (19), 4351-4356, 2016 | 4 | 2016 |
| De novo design of anti-tuberculosis agents using a structure-based deep learning method SR Krishnan, N Bung, S Padhi, G Bulusu, P Misra, M Pal, S Oruganti, ... Journal of Molecular Graphics and Modelling 118, 108361, 2023 | 3 | 2023 |
| Ion Selectivity and Permeation Mechanism in a Cyclodextrin-Based Channel P Musunuru, S Padhi, UD Priyakumar The Journal of Physical Chemistry B 125 (29), 8028-8037, 2021 | 2 | 2021 |
| The HIV-1 Vpu transmembrane domain topology and formation of a hydrophobic interface with BST-2 are critical for Vpu-mediated BST-2 downregulation N Khan, S Padhi, P Patel, UD Priyakumar, S Jameel bioRxiv, 2020.06. 28.176289, 2020 | 1 | 2020 |
| Modeling complex biomolecular systems and processes using molecular mechanics force fields and molecular dynamics simulations S Padhi, UD Priyakumar Theoretical and computational advances: From atoms to molecules to materials …, 2017 | 1 | 2017 |
