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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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4 results in Keywords: pdb

Biological and Medicinal Chemistry

Virtual Screening, Molecular Docking and Dynamic Simulation of Shikimate Kinase from Mycobacterium Tuberculosis Using in Silico Approach

Mustafa Alhaji Isa

Version 1 posted 17 June 2020

566

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Theoretical and Computational Chemistry

TorsionNet: A Deep Neural Network to Rapidly Predict Small Molecule Torsion Energy Profiles with the Accuracy of Quantum Mechanics

Brajesh Rai, Vishnu Sresht, Qingyi Yang, Rayomond J. Unwalla, Meihua Tu, Alan M. Mathiowetz, Gregory A. Bakken

Version 1 posted 24 December 2020

1,346

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Biological and Medicinal Chemistry

Energetics Based Modeling of Hydroxychloroquine and Azithromycin Binding to the SARS-CoV-2 Spike (S)Protein - ACE2 Complex

Samarth Sandeep, Kirk McGregor

Version 2 posted 24 March 2020

3,595

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13

Citations

Biological and Medicinal Chemistry

Online tools to easily build augmented reality models of biomolecules that run right on the web

Fabio Cortés Rodríguez, Matteo Dal Peraro, Luciano Abriata

Version 2 posted 10 December 2021

480

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