Madushanka Manathunga

According to our database, Madushanka Manathunga authored at least 4 papers between 2021 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2025

Aliphatic Polyester Recognition and Reactivity at the Active Cleft of a Fungal Cutinase.

Pietro Vidossich, Madushanka Manathunga, Andreas W. Götz, Kenneth M. Merz Jr., Marco de Vivo

J. Chem. Inf. Model., 2025

2023

AmberTools.

David A. Case, Hasan Metin Aktulga, Kellon Belfon, David S. Cerutti, G. Andrés Cisneros, Vinícius Wilian D. Cruzeiro, Negin Forouzesh, Timothy J. Giese, Andreas W. Götz, Holger Gohlke, Saeed Izadi, Koushik Kasavajhala, Mehmet Cagri Kaymak, Edward King, Tom Kurtzman, Tai-Sung Lee, Pengfei Li, Jian Liu, Tyler Luchko, Ray Luo, Madushanka Manathunga, Matías R. Machado, Hai Minh Nguyen, Kurt A. O'Hearn, Alexey V. Onufriev, Feng Pan, Sergio Pantano, Ruxi Qi, Ali Rahnamoun, Ali Risheh, Stephan Schott-Verdugo, Akhil Shajan, Jason M. Swails, Junmei Wang, Haixin Wei, Xiongwu Wu, Yongxian Wu, Shi Zhang, Shiji Zhao, Qiang Zhu, Thomas E. Cheatham, Daniel R. Roe, Adrian E. Roitberg, Carlos Simmerling, Darrin M. York, Maria C. Nagan, Kenneth M. Merz Jr.

J. Chem. Inf. Model., October, 2023

Quantum Mechanics/Molecular Mechanics Simulations on NVIDIA and AMD Graphics Processing Units.

Madushanka Manathunga, Hasan Metin Aktulga, Andreas W. Götz, Kenneth M. Merz Jr.

J. Chem. Inf. Model., February, 2023

2021

Open-Source Multi-GPU-Accelerated QM/MM Simulations with AMBER and QUICK.

Vinícius Wilian D. Cruzeiro, Madushanka Manathunga, Kenneth M. Merz Jr., Andreas W. Götz

J. Chem. Inf. Model., 2021