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Ayesh Madushanka

Showing results (1-10 of 5) with videos related to

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Scientific Data|December 18, 2024
QM40, Realistic Quantum Mechanical Dataset for Machine Learning in Molecular ScienceAyesh Madushanka, Renaldo T Moura, Elfi Kraka
Journal of Chemical Information and Modeling|August 23, 2024
SmartCADD: AI-QM Empowered Drug Discovery Platform with ExplainabilityAyesh Madushanka, Eli Laird, Corey Clark, et al.
International Journal of Molecular Sciences|October 27, 2022
Papaya Leaf Extracts as Potential Dengue Treatment: An In-Silico StudyAyesh Madushanka, Niraj Verma, Marek Freindorf, et al.
International Journal of Molecular Sciences|April 13, 2023
Quantum Mechanical Assessment of Protein-Ligand Hydrogen Bond Strength Patterns: Insights from Semiempirical Tight-Binding and Local Vibrational Mode TheoryAyesh Madushanka, Renaldo T Moura, Niraj Verma, et al.
The Journal of Physical Chemistry. B|July 8, 2026
Assessing Fluoroacetate Defluorination Potential across Diverse Enzymes Using Quantum ChemistryAyesh Madushanka, Chamindu Jayathilake, Nipuni Premathilaka, et al.
Pageof 1

Showing results (1-10 of 5) with videos related to

Sort By:
Pageof 1
Scientific Data|December 18, 2024
QM40, Realistic Quantum Mechanical Dataset for Machine Learning in Molecular ScienceAyesh Madushanka, Renaldo T Moura, Elfi Kraka
Journal of Chemical Information and Modeling|August 23, 2024
SmartCADD: AI-QM Empowered Drug Discovery Platform with ExplainabilityAyesh Madushanka, Eli Laird, Corey Clark, et al.
International Journal of Molecular Sciences|October 27, 2022
Papaya Leaf Extracts as Potential Dengue Treatment: An In-Silico StudyAyesh Madushanka, Niraj Verma, Marek Freindorf, et al.
International Journal of Molecular Sciences|April 13, 2023
Quantum Mechanical Assessment of Protein-Ligand Hydrogen Bond Strength Patterns: Insights from Semiempirical Tight-Binding and Local Vibrational Mode TheoryAyesh Madushanka, Renaldo T Moura, Niraj Verma, et al.
The Journal of Physical Chemistry. B|July 8, 2026
Assessing Fluoroacetate Defluorination Potential across Diverse Enzymes Using Quantum ChemistryAyesh Madushanka, Chamindu Jayathilake, Nipuni Premathilaka, et al.
Pageof 1