Ohcanbohtosat - Priyakumar, U. Deva

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

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Modeling the structure of SARS 3a transmembrane protein using a minimum unfavorable contact approach Dahkki 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 Dahkki 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 Dahkki 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 Dahkki Priyakumar, U. Deva, MacKerell, Alexander D.

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

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Structure-based drug repurposing: Traditional and advanced AI/ML-aided methods Dahkki 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 Dahkki 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 Dahkki 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 Dahkki 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 Dahkki 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 Dahkki 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 Dahkki 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 Dahkki Yoshida, Hiroto, Ehara, Masahiro, Priyakumar, U. Deva, Kawai, Tsuyoshi, Nakashima, Takuya

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Mining subgraph coverage patterns from graph transactions Dahkki 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 Dahkki 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 Dahkki 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 Dahkki 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 Dahkki 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 Dahkki Boston, Sarice R, Deshmukh, Rahul, Strome, Scott, Priyakumar, U Deva, MacKerell, Alexander D, Shapiro, Paul

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