Irfan Alibay

According to our database, Irfan Alibay authored at least 5 papers between 2019 and 2024.

Collaborative distances:

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

2024

alchemlyb: the simple alchemistry library.

Zhiyi Wu, David L. Dotson, Irfan Alibay, Bryce K. Allen, Mohammad Soroush Barhaghi, Jérôme Hénin, Thomas T. Joseph, Ian M. Kenney, Hyungro Lee, Haoxi Li, Victoria T. Lim, Shuai Liu, Domenico Marson, Pascal T. Merz, Alexander Schlaich, David L. Mobley, Michael R. Shirts, Oliver Beckstein

J. Open Source Softw., 2024

Automated Absolute Binding Free Energy Calculation Workflow for Drug Discovery.

Benjamin Ries, Irfan Alibay, Nithishwer Mouroug Anand, Philip C. Biggin, Aniket Magarkar

J. Chem. Inf. Model., 2024

Analysis of Glycan Recognition by Concanavalin A Using Absolute Binding Free Energy Calculations.

Sondos Musleh, Irfan Alibay, Philip C. Biggin, Richard A. Bryce

J. Chem. Inf. Model., 2024

2019

Energetic Fingerprinting of Ligand Binding to Paralogous Proteins: The Case of the Apoptotic Pathway.

Stefan M. Ivanov, Roland G. Huber, Irfan Alibay, Jim Warwicker, Peter J. Bond

J. Chem. Inf. Model., 2019

Ring Puckering Landscapes of Glycosaminoglycan-Related Monosaccharides from Molecular Dynamics Simulations.

Irfan Alibay, Richard A. Bryce

J. Chem. Inf. Model., 2019