Toxicity Originating from Thiophene Containing Drugs: Exploring the Mechanism using Quantum Chemical Methods von Jaladanki, Chaitanya K, Taxak, Nikhil, Varikoti, Rohith A, Bharatam, Prasad V

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Molecular investigations into the unfoldase action of severing enzymes on microtubules von Varikoti, Rohith A., Macke, Amanda C., Speck, Virginia, Ross, Jennifer L., Dima, Ruxandra I.

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CACTUS: Chemistry Agent Connecting Tool Usage to Science von McNaughton, Andrew D., Sankar Ramalaxmi, Gautham Krishna, Kruel, Agustin, Knutson, Carter R., Varikoti, Rohith A., Kumar, Neeraj

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Disparate Roles of Alpha and Beta CTTs in Microtubule Severing von Anand Varikoti, Rohith

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Structure based virtual screening to identify selective phosphodiesterase 4B inhibitors von Gangwal, Rahul P., Damre, Mangesh V., Das, Nihar R., Dhoke, Gaurao V., Bhadauriya, Anuseema, Varikoti, Rohith A., Sharma, Shyam S., Sangamwar, Abhay T.

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Exploring the Effect of Mechanical Anisotropy of Protein Structures in the Unfoldase Mechanism of AAA+ Molecular Machines von Varikoti, Rohith Anand, Fonseka, Hewafonsekage Yasan Y, Kelly, Maria S, Javidi, Alex, Damre, Mangesh, Mullen, Sarah, Nugent, 4th, Jimmie L, Gonzales, Christopher M, Stan, George, Dima, Ruxandra I

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Factors underlying asymmetric pore dynamics of disaggregase and microtubule-severing AAA+ machines von Damre, Mangesh, Dayananda, Ashan, Varikoti, Rohith Anand, Stan, George, Dima, Ruxandra I.

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Breaking down microtubule severing motors with machine learning von Macke, Amanda C., Dima, Ruxandra I., Anand Varikoti, Rohith, Kelly, Maria S.

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Modeling the Mechanical Response of Microtubule Lattices to Pressure von Szatkowski, Lukasz, Varikoti, Rohith Anand, Dima, Ruxandra I

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Exploring the Unfoldase Mechanism of Microtubule Severing by Coarse-Grained Simulations von Anand Varikoti, Rohith, Ross, Jennifer L., Dima, Ruxandra I.

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Correction to “Microtubule Severing Enzymes Oligomerization and Allostery: A Tale of Two Domains” von Macke, Amanda C., Kelly, Maria S., Varikoti, Rohith Anand, Mullen, Sarah, Groves, Daniel, Forbes, Clare, Dima, Ruxandra I.

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Integrated data-driven and experimental approaches to accelerate lead optimization targeting SARS-CoV-2 main protease von Varikoti, Rohith Anand, Schultz, Katherine J., Kombala, Chathuri J., Kruel, Agustin, Brandvold, Kristoffer R., Zhou, Mowei, Kumar, Neeraj

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Microtubule Severing Enzymes Oligomerization and Allostery: A Tale of Two Domains von Macke, Amanda C., Kelly, Maria S., Varikoti, Rohith Anand, Mullen, Sarah, Groves, Daniel, Forbes, Clare, Dima, Ruxandra I.

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AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV‑2 von Joshi, Rajendra P., Schultz, Katherine J., Wilson, Jesse William, Kruel, Agustin, Varikoti, Rohith Anand, Kombala, Chathuri J., Kneller, Daniel W., Galanie, Stephanie, Phillips, Gwyndalyn, Zhang, Qiu, Coates, Leighton, Parvathareddy, Jyothi, Surendranathan, Surekha, Kong, Ying, Clyde, Austin, Ramanathan, Arvind, Jonsson, Colleen B., Brandvold, Kristoffer R., Zhou, Mowei, Head, Martha S., Kovalevsky, Andrey, Kumar, Neeraj

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Structure based de novo design of IspD inhibitors as anti-tubercular agents von Varikoti, Rohith Anand, Gangwal, Rahul, Dhoke, Gaurao, Ramaswamy, Venkata Krishnan, Sangamwar, Abhay

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Dynamic Molecular Graph-based Implementation for Biophysical Properties Prediction von Knutson, Carter, Panapitiya, Gihan, Varikoti, Rohith, Kumar, Neeraj

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CACTUS: Chemistry Agent Connecting Tool-Usage to Science von McNaughton, Andrew D, Ramalaxmi, Gautham, Kruel, Agustin, Knutson, Carter R, Varikoti, Rohith A, Kumar, Neeraj

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Dynamic Molecular Graph-based Implementation for Biophysical Properties Prediction von Knutson, Carter, Panapitiya, Gihan, Varikoti, Rohith, Kumar, Neeraj

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