Matthew Holcomb

According to our database, Matthew Holcomb authored at least 7 papers between 2023 and 2026.

Collaborative distances:

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

2026

AlphaFold-RandomWalk and AlphaFold-Ensemble: Sampling Alternative Protein Conformations with Perturbed Versions of AlphaFold.

Ishan Taneja, Manuel A. Llanos, Monica L. Fernández-Quintero, Johannes R. Loeffler, Matthew Holcomb, Andrew B. Ward, Stefano Forli

J. Chem. Inf. Model., 2026

2025

Meeko: Molecule Parametrization and Software Interoperability for Docking and Beyond.

Diogo Santos-Martins, Yiran He, Jérôme Eberhardt, Parnika Sharma, Niccolò Bruciaferri, Matthew Holcomb, Manuel A. Llanos, Althea T. Hansel-Harris, Allison Pearl Barkdull, Andreas F. Tillack, Giulia Bianco, May-Linn Paulsen, Joani Mato, Ishan Taneja, Stefano Forli

J. Chem. Inf. Model., 2025

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