Matthew Holcomb

According to our database, Matthew Holcomb authored at least 5 papers between 2023 and 2024.

Collaborative distances:

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

2024

Synergy of machine learning and density functional theory calculations for predicting experimental Lewis base affinity and Lewis polybase binding atoms.

Hieu Huynh, Khanh Le, Linh Vu, Trang Nguyen, Matthew Holcomb, Stefano Forli, Hung Phan

J. Comput. Chem., July, 2024

A multidimensional dataset for structure-based machine learning.

Matthew Holcomb, Stefano Forli

Nat. Comput. Sci., May, 2024

CosolvKit: a Versatile Tool for Cosolvent MD Preparation and Analysis.

Niccolò Bruciaferri, Jérôme Eberhardt, Manuel A. Llanos, Johannes R. Loeffler, Matthew Holcomb, Monica L. Fernández-Quintero, Diogo Santos-Martins, Andrew B. Ward, Stefano Forli

J. Chem. Inf. Model., 2024

2023

Reactive Docking: A Computational Method for High-Throughput Virtual Screenings of Reactive Species.

Giulia Bianco, Matthew Holcomb, Diogo Santos-Martins, Andreas F. Tillack, Althea T. Hansel-Harris, Stefano Forli

J. Chem. Inf. Model., September, 2023

Ringtail: A Python Tool for Efficient Management and Storage of Virtual Screening Results.

Althea T. Hansel-Harris, Diogo Santos-Martins, Niccolò Bruciaferri, Andreas F. Tillack, Matthew Holcomb, Stefano Forli

J. Chem. Inf. Model., April, 2023