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Molecular Informatics|August 6, 2016
Structural and Functional Diversities of the Hexadecahydro-1H-cyclopenta[a]phenanthrene Framework, a Ubiquitous Scaffold in Steroidal HormonesChinmayee Choudhury, U Deva Priyakumar, G Narahari SastryJournal of Structural Biology|May 1, 2014
Molecular dynamics investigation of the active site dynamics of mycobacterial cyclopropane synthase during various stages of the cyclopropanation processChinmayee Choudhury, U Deva Priyakumar, G Narahari SastryJournal of Chemical Information and Modeling|March 10, 2015
Dynamics based pharmacophore models for screening potential inhibitors of mycobacterial cyclopropane synthaseChinmayee Choudhury, U Deva Priyakumar, G Narahari SastryJournal of the American Chemical Society|October 5, 2017
Role of Urea-Aromatic Stacking Interactions in Stabilizing the Aromatic Residues of the Protein in Urea-Induced Denatured StateSiddharth Goyal, Aditya Chattopadhyay, Koushik Kasavajhala, et al.The Journal of Organic Chemistry|February 1, 2003
Silaaromaticity in polycyclic systems: a computational studyD Manjula Dhevi, U Deva Priyakumar, G Narahari SastryBiochemistry|September 23, 2016
Urea Mimics Nucleobases by Preserving the Helical Integrity of B-DNA Duplexes via Hydrogen Bonding and Stacking InteractionsGorle Suresh, Siladitya Padhi, Indrajit Patil, et al.Chemical Communications (Cambridge, England)|September 20, 2014
Double zipper helical assembly of deoxyoligonucleotides: mutual templating and chiral imprinting to form hybrid DNA ensemblesNagarjun Narayanaswamy, Gorle Suresh, U Deva Priyakumar, et al.International Journal of Molecular Sciences|June 2, 2021
Multiscale Modeling of Wobble to Watson-Crick-Like Guanine-Uracil Tautomerization Pathways in RNAShreya Chandorkar, Shampa Raghunathan, Tanashree Jaganade, et al.The Journal of Physical Chemistry. B|November 28, 2023
MolOpt: Autonomous Molecular Geometry Optimization Using Multiagent Reinforcement LearningRohit Modee, Sarvesh Mehta, Siddhartha Laghuvarapu, et al.Physical Chemistry Chemical Physics : PCCP|March 29, 2019
Computational modeling of the catalytic mechanism of hydroxymethylbilane synthaseNavneet Bung, Arijit Roy, U Deva Priyakumar, et al.Pageof 49