Dmitry Lupyan

According to our database, Dmitry Lupyan authored at least 5 papers between 2005 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2025

Accurate Physics-Based Prediction of Binding Affinities of RNA- and DNA-Targeting Ligands.

Ara M. Abramyan, Anna Bochicchio, Chuanjie Wu, Wolfgang Damm, David R. Langley, Devleena Shivakumar, Dmitry Lupyan, Lingle Wang, Edward Harder, Eliud O. Oloo

J. Chem. Inf. Model., 2025

2019

Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics.

Haoyu S. Yu, Cen Gao, Dmitry Lupyan, Yujie Wu, Takayuki Kimura, Chuanjie Wu, Leif D. Jacobson, Edward Harder, Robert Abel, Lingle Wang

J. Chem. Inf. Model., 2019

2013

Erratum to: Close intramolecular sulfur-oxygen contacts: modified force field parameters for improved conformation generation.

Dmitry Lupyan, Yuriy A. Abramov, Woody Sherman

J. Comput. Aided Mol. Des., 2013

2012

Close intramolecular sulfur-oxygen contacts: modified force field parameters for improved conformation generation.

Dmitry Lupyan, Yuriy A. Abramov, Woody Sherman

J. Comput. Aided Mol. Des., 2012

2005

A new progressive-iterative algorithm for multiple structure alignment.

Dmitry Lupyan, Alejandra Leo-Macias, Angel R. Ortiz

Bioinform., 2005