Torthaí cuardaigh - Priyakumar, U. Deva

Artificial intelligence: machine learning for chemical sciences de réir Karthikeyan, Akshaya, Priyakumar, U Deva

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Modeling the structure of SARS 3a transmembrane protein using a minimum unfavorable contact approach de réir RAMAKRISHNA, S, PADHI, SILADITYA, PRIYAKUMAR, U DEVA

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NMR Imino Proton Exchange Experiments on Duplex DNA Primarily Monitor the Opening of Purine Bases de réir Priyakumar, U. Deva, MacKerell, Alexander D.

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Role of the Adenine Ligand on the Stabilization of the Secondary and Tertiary Interactions in the Adenine Riboswitch de réir Priyakumar, U. Deva, MacKerell, Alexander D.

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Atomic Detail Investigation of the Structure and Dynamics of DNA•RNA Hybrids: A Molecular Dynamics Study de réir Priyakumar, U. Deva, MacKerell, Alexander D.

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Urea-aromatic interactions in biology de réir Raghunathan, Shampa, Jaganade, Tanashree, Priyakumar, U. Deva

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Structure-based drug repurposing: Traditional and advanced AI/ML-aided methods de réir Choudhury, Chinmayee, Arul Murugan, N., Priyakumar, U. Deva

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Molecular Dynamics Simulations Reveal the HIV-1 Vpu Transmembrane Protein to Form Stable Pentamers de réir Padhi, Siladitya, Khan, Nabab, Jameel, Shahid, Priyakumar, U. Deva

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Multiscale Modeling of Wobble to Watson–Crick-Like Guanine–Uracil Tautomerization Pathways in RNA de réir Chandorkar, Shreya, Raghunathan, Shampa, Jaganade, Tanashree, Priyakumar, U. Deva

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Atomistic Detailed Mechanism and Weak Cation-Conducting Activity of HIV-1 Vpu Revealed by Free Energy Calculations de réir Padhi, Siladitya, Burri, Raghunadha Reddy, Jameel, Shahid, Priyakumar, U. Deva

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Energetic, Structural and Dynamic Properties of Nucleobase-Urea Interactions that Aid in Urea Assisted RNA Unfolding de réir Jaganade, Tanashree, Chattopadhyay, Aditya, Pazhayam, Nila M., Priyakumar, U. Deva

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Machine Learning Based Clinical Decision Support System for Early COVID-19 Mortality Prediction de réir Karthikeyan, Akshaya, Garg, Akshit, Vinod, P. K., Priyakumar, U. Deva

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Urea destabilizes RNA by forming stacking interaction and multiple hydrogen bonds with nucleic acid bases de réir Priyakumar, U. Deva, Hyeon, Changbong, Thirumalai, D., MacKerell, Alexander D.

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Enantioseparation and chiral induction in Ag(29) nanoclusters with intrinsic chirality de réir Yoshida, Hiroto, Ehara, Masahiro, Priyakumar, U. Deva, Kawai, Tsuyoshi, Nakashima, Takuya

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Mining subgraph coverage patterns from graph transactions de réir Reddy, A. Srinivas, Reddy, P. Krishna, Mondal, Anirban, Priyakumar, U. Deva

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Impact of 2′-hydroxyl sampling on the conformational properties of RNA: Update of the CHARMM all-atom additive force field for RNA de réir Denning, Elizabeth J., Priyakumar, U. Deva, Nilsson, Lennart, MacKerell, Alexander D.

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Dispersion Interactions between Urea and Nucleobases Contribute to the Destabilization of RNA by Urea in Aqueous Solution de réir Kasavajhala, Koushik, Bikkina, Swetha, Patil, Indrajit, MacKerell, Alexander D., Priyakumar, U. Deva

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Host metabolic reprogramming in response to SARS-CoV-2 infection: A systems biology approach de réir Moolamalla, S.T.R., Balasubramanian, Rami, Chauhan, Ruchi, Priyakumar, U. Deva, Vinod, P.K.

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MEMES: Machine learning framework for Enhanced MolEcular Screening de réir Mehta, Sarvesh, Laghuvarapu, Siddhartha, Pathak, Yashaswi, Sethi, Aaftaab, Alvala, Mallika, Priyakumar, U. Deva

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Characterization of ERK Docking Domain Inhibitors that Induce Apoptosis by Targeting Rsk-1 and Caspase-9 de réir Boston, Sarice R, Deshmukh, Rahul, Strome, Scott, Priyakumar, U Deva, MacKerell, Alexander D, Shapiro, Paul

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