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The Journal of Physical Chemistry. B|September 21, 2021
SCONES: Self-Consistent Neural Network for Protein Stability Prediction Upon MutationYashas B L Samaga, Shampa Raghunathan, U Deva PriyakumarBiochemistry|June 2, 2016
Ligand-Induced Stabilization of a Duplex-like Architecture Is Crucial for the Switching Mechanism of the SAM-III RiboswitchGorle Suresh, Harini Srinivasan, Shivani Nanda, et al.Current Opinion in Structural Biology|January 30, 2025
Modern machine learning methods for protein property predictionArjun Dosajh, Prakul Agrawal, Prathit Chatterjee, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|November 28, 2013
Solvent-induced helical assembly and reversible chiroptical switching of chiral cyclic-dipeptide-functionalized naphthalenediimidesShivaprasad Manchineella, V Prathyusha, U Deva Priyakumar, et al.Journal of Chemical Information and Modeling|December 6, 2021
MoleGuLAR: Molecule Generation Using Reinforcement Learning with Alternating RewardsManan Goel, Shampa Raghunathan, Siddhartha Laghuvarapu, et al.The Journal of Physical Chemistry Letters|May 31, 2022
Deep Reinforcement Learning for Molecular Inverse Problem of Nuclear Magnetic Resonance Spectra to Molecular StructureBhuvanesh Sridharan, Sarvesh Mehta, Yashaswi Pathak, et al.Plos One|November 14, 2013
Molecular dynamics simulations reveal the HIV-1 Vpu transmembrane protein to form stable pentamersSiladitya Padhi, Nabab Khan, Shahid Jameel, et al.ACS Omega|January 23, 2023
Latent Biases in Machine Learning Models for Predicting Binding Affinities Using Popular Data SetsGanesh Chandan Kanakala, Rishal Aggarwal, Divya Nayar, et al.Journal of the American Chemical Society|November 19, 2009
Urea destabilizes RNA by forming stacking interactions and multiple hydrogen bonds with nucleic acid basesU Deva Priyakumar, Changbong Hyeon, D Thirumalai, et al.Heliyon|February 23, 2023
PREHOST: Host prediction of coronaviridae family using machine learningAnusha Chaturvedi, Kushal Borkar, U Deva Priyakumar, et al.Pageof 27