Toxicity originating from thiophene containing drugs: exploring the mechanism using quantum chemical methods CK Jaladanki, N Taxak, RA Varikoti, PV Bharatam Chemical research in toxicology 28 (12), 2364-2376, 2015 | 38 | 2015 |
Structure based virtual screening to identify selective phosphodiesterase 4B inhibitors RP Gangwal, MV Damre, NR Das, GV Dhoke, A Bhadauriya, RA Varikoti, ... Journal of Molecular Graphics and Modelling 57, 89-98, 2015 | 21 | 2015 |
Molecular investigations into the unfoldase action of severing enzymes on microtubules RA Varikoti, AC Macke, V Speck, JL Ross, RI Dima Cytoskeleton 77 (5-6), 214-228, 2020 | 9 | 2020 |
Ai-accelerated design of targeted covalent inhibitors for SARS-CoV-2 RP Joshi, KJ Schultz, JW Wilson, A Kruel, RA Varikoti, CJ Kombala, ... Journal of Chemical Information and Modeling 63 (5), 1438-1453, 2023 | 8 | 2023 |
Factors underlying asymmetric pore dynamics of disaggregase and microtubule-severing AAA+ machines M Damre, A Dayananda, RA Varikoti, G Stan, RI Dima Biophysical Journal 120 (16), 3437-3454, 2021 | 8 | 2021 |
Exploring the effect of mechanical anisotropy of protein structures in the unfoldase mechanism of AAA+ molecular machines RA Varikoti, HYY Fonseka, MS Kelly, A Javidi, M Damre, S Mullen, ... Nanomaterials 12 (11), 1849, 2022 | 6 | 2022 |
Structure based de novo design of IspD inhibitors as anti-tubercular agents RA Varikoti, R Gangwal, G Dhoke, VK Ramaswamy, A Sangamwar Nature Precedings, 1-1, 2012 | 5 | 2012 |
Microtubule severing enzymes oligomerization and allostery: a tale of two domains AC Macke, MS Kelly, RA Varikoti, S Mullen, D Groves, C Forbes, RI Dima The Journal of Physical Chemistry B 126 (50), 10569-10586, 2022 | 3 | 2022 |
Integrated data-driven and experimental approaches to accelerate lead optimization targeting SARS-CoV-2 main protease RA Varikoti, KJ Schultz, CJ Kombala, A Kruel, KR Brandvold, M Zhou, ... Journal of Computer-Aided Molecular Design 37 (8), 339-355, 2023 | 2 | 2023 |
Modeling the Mechanical Response of Microtubule Lattices to Pressure L Szatkowski, RA Varikoti, RI Dima The Journal of Physical Chemistry B 125 (19), 5009-5021, 2021 | 2 | 2021 |
CACTUS: Chemistry Agent Connecting Tool-Usage to Science AD McNaughton, G Ramalaxmi, A Kruel, CR Knutson, RA Varikoti, ... arXiv preprint arXiv:2405.00972, 2024 | | 2024 |
Native Mass Spectrometry Dissects the Structural Dynamics of an Allosteric Heterodimer of SARS-CoV-2 Nonstructural Proteins SM Thibert, DJ Reid, JW Wilson, R Varikoti, N Maltseva, KJ Schultz, ... Journal of the American Society for Mass Spectrometry 35 (5), 912-921, 2024 | | 2024 |
Dynamic Molecular Graph-based Implementation for Biophysical Properties Prediction C Knutson, G Panapitiya, R Varikoti, N Kumar arXiv preprint arXiv:2212.09991, 2022 | | 2022 |
Machine Learning-driven Molecular Design for Therapeutic Discovery RA Varikoti, KJ Schultz, M Zhou, CJ Kombala Nanayakkara Thambiliya, ... Pacific Northwest National Laboratory (PNNL), Richland, WA (United States), 2022 | | 2022 |
Breaking down microtubule severing motors with machine learning AC Macke, RI Dima, RA Varikoti, MS Kelly Biophysical Journal 121 (3), 116a, 2022 | | 2022 |
Exploring the Molecular Mechanisms of Microtubule Severing RA Varikoti University of Cincinnati, 2021 | | 2021 |
Breaking down microtubule severing motors: A computational study of lower order katanin oligomers A Macke, RA Varikoti, R Dima APS March Meeting Abstracts 2021, F11. 008, 2021 | | 2021 |
Factors Underlying Asymmetric Dynamics of Disaggregase and Microtubule Severing AAA+ Machines M Damre, A Dayananda, RA Varikoti, G Stan, RI Dima bioRxiv, 2020.11. 25.398420, 2020 | | 2020 |
Molecular dynamics study of Katanin oligomeres: A MT-severing enzyme M Damre, RA Varikoti, R Dima Bulletin of the American Physical Society 65, 2020 | | 2020 |
Role of substrate cooperativity and motor concentration in microtubule severing RA Varikoti, J Ross, R Dima Bulletin of the American Physical Society 65, 2020 | | 2020 |