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U Deva Priyakumar

Showing results (31-40 of 99) with videos related to

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The Journal of Organic Chemistry|June 8, 2012
Transannular Diels-Alder reactivities of 14-membered macrocylic trienes and their relationship with the conformational preferences of the reactants: a combined quantum chemical and molecular dynamics studyV Prathyusha, S Ramakrishna, U Deva Priyakumar
The Journal of Physical Chemistry. B|July 20, 2021
Ion Selectivity and Permeation Mechanism in a Cyclodextrin-Based ChannelPratyusha Musunuru, Siladitya Padhi, U Deva Priyakumar
Chemical Communications (Cambridge, England)|April 13, 2022
Modern machine learning for tackling inverse problems in chemistry: molecular design to realizationBhuvanesh Sridharan, Manan Goel, U Deva Priyakumar
Biophysical Reviews|February 19, 2020
Urea-aromatic interactions in biologyShampa Raghunathan, Tanashree Jaganade, U Deva Priyakumar
Journal of Computational Chemistry|December 18, 2019
BAND NN: A Deep Learning Framework for Energy Prediction and Geometry Optimization of Organic Small MoleculesSiddhartha Laghuvarapu, Yashaswi Pathak, U Deva Priyakumar
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 Sastry
Journal 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 Sastry
Biochemistry|February 3, 2005
Conformational determinants of tandem GU mismatches in RNA: insights from molecular dynamics simulations and quantum mechanical calculationsYongping Pan, U Deva Priyakumar, Alexander D MacKerell
Drug Discovery Today|March 18, 2022
Structure-based drug repurposing: Traditional and advanced AI/ML-aided methodsChinmayee Choudhury, N Arul Murugan, U Deva Priyakumar
Journal 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 Sastry
Pageof 10

Showing results (31-40 of 99) with videos related to

Sort By:
Pageof 10
The Journal of Organic Chemistry|June 8, 2012
Transannular Diels-Alder reactivities of 14-membered macrocylic trienes and their relationship with the conformational preferences of the reactants: a combined quantum chemical and molecular dynamics studyV Prathyusha, S Ramakrishna, U Deva Priyakumar
The Journal of Physical Chemistry. B|July 20, 2021
Ion Selectivity and Permeation Mechanism in a Cyclodextrin-Based ChannelPratyusha Musunuru, Siladitya Padhi, U Deva Priyakumar
Chemical Communications (Cambridge, England)|April 13, 2022
Modern machine learning for tackling inverse problems in chemistry: molecular design to realizationBhuvanesh Sridharan, Manan Goel, U Deva Priyakumar
Biophysical Reviews|February 19, 2020
Urea-aromatic interactions in biologyShampa Raghunathan, Tanashree Jaganade, U Deva Priyakumar
Journal of Computational Chemistry|December 18, 2019
BAND NN: A Deep Learning Framework for Energy Prediction and Geometry Optimization of Organic Small MoleculesSiddhartha Laghuvarapu, Yashaswi Pathak, U Deva Priyakumar
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 Sastry
Journal 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 Sastry
Biochemistry|February 3, 2005
Conformational determinants of tandem GU mismatches in RNA: insights from molecular dynamics simulations and quantum mechanical calculationsYongping Pan, U Deva Priyakumar, Alexander D MacKerell
Drug Discovery Today|March 18, 2022
Structure-based drug repurposing: Traditional and advanced AI/ML-aided methodsChinmayee Choudhury, N Arul Murugan, U Deva Priyakumar
Journal 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 Sastry
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