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December 18, 2024
QM40, Realistic Quantum Mechanical Dataset for Machine Learning in Molecular Science
Ayesh Madushanka, Renaldo T Moura, Elfi Kraka
Journal of Chemical Information and Modeling
|
August 23, 2024
SmartCADD: AI-QM Empowered Drug Discovery Platform with Explainability
Ayesh 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 Study
Ayesh 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 Theory
Ayesh 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 Chemistry
Ayesh Madushanka, Chamindu Jayathilake, Nipuni Premathilaka, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Scientific Data
|
December 18, 2024
QM40, Realistic Quantum Mechanical Dataset for Machine Learning in Molecular Science
Ayesh Madushanka, Renaldo T Moura, Elfi Kraka
Journal of Chemical Information and Modeling
|
August 23, 2024
SmartCADD: AI-QM Empowered Drug Discovery Platform with Explainability
Ayesh 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 Study
Ayesh 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 Theory
Ayesh 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 Chemistry
Ayesh Madushanka, Chamindu Jayathilake, Nipuni Premathilaka, et al.
Page
of 1