# Molecular Modeling

**URL:** https://computeman.us/c/molecular-modeling/5.md

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## [About the Molecular Modeling category](https://computeman.us/t/about-the-molecular-modeling-category/7)

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**Author:** [@admin](https://computeman.us/u/admin)\
**Replies:** 0\
**Last updated:** [April 24, 2026, 5:36pm UTC](https://computeman.us/t/about-the-molecular-modeling-category/7 "2026-04-24T17:36:19Z")

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GPU-Accelerated Molecular Modeling for Drug Discovery & Life Sciences. We run molecular dynamics, docking, virtual screening, and biomolecular simulations to help research teams predict interactions, optimize leads, and…

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## [Molecular modeling and docking analysis of how isoniazid interacts with enzymes susceptible to Mycobacterium tuberculosis](https://computeman.us/t/molecular-modeling-and-docking-analysis-of-how-isoniazid-interacts-with-enzymes-susceptible-to-mycobacterium-tuberculosis/10)

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**Author:** [@sohail](https://computeman.us/u/sohail)\
**Replies:** 0\
**Last updated:** [April 26, 2026, 4:27pm UTC](https://computeman.us/t/molecular-modeling-and-docking-analysis-of-how-isoniazid-interacts-with-enzymes-susceptible-to-mycobacterium-tuberculosis/10 "2026-04-26T16:27:01Z")

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The objective of this study was to compute the atomic and molecular interactions associated with the binding of antitubercular drugs with InhA, an enzyme involved in the biosynthesis of mycolic acids in Mycobacterium tub…