Martin S. Engler

According to our database, Martin S. Engler authored at least 3 papers between 2018 and 2023.

Collaborative distances:

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

2023

OFraMP: a fragment-based tool to facilitate the parametrization of large molecules.

Martin Stroet, Bertrand Caron, Martin S. Engler, Jimi van der Woning, Aude Kauffmann, Marc van Dijk, Mohammed El-Kebir, Koen Visscher, Josef Holownia, Callum Macfarlane, Brian J. Bennion, Svetlana Gelpi-Dominguez, Felice C. Lightstone, Tijs van der Storm, Daan P. Geerke, Alan E. Mark, Gunnar W. Klau

J. Comput. Aided Mol. Des., August, 2023

2019

Automated partial atomic charge assignment for drug-like molecules: a fast knapsack approach.

Martin S. Engler, Bertrand Caron, Lourens E. Veen, Daan P. Geerke, Alan E. Mark, Gunnar W. Klau

Algorithms Mol. Biol., 2019

2018

Multiple-Choice Knapsack for Assigning Partial Atomic Charges in Drug-Like Molecules.

Martin S. Engler, Bertrand Caron, Lourens E. Veen, Daan P. Geerke, Alan E. Mark, Gunnar W. Klau

Proceedings of the 18th International Workshop on Algorithms in Bioinformatics, 2018