Work

Input and data files for "Physical priors improve performance of structure-based binding affinity models"

Year: 2026

Type: dataset

Abstract: This Zenodo deposition holds the dataset, input files, and structures, associated with the paper "Physical priors improve performance of structure-based binding affinity models." Associated scripts to run, generate figures, and analyze data can be found in the corresponding github repo: https://github.com/choderalab/physical-biases-paper Additional details can be found in README

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.22050743

Authors: Kaminow, Benjamin, Payne, Alexander Matthew, MacDermott-Opeskin, Hugo I., Chodera, John, Singh, Sukrit

Institutions: Memorial Sloan Kettering Cancer Center, Open Molecular Software Foundation

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Drug Discovery

Field: Pharmacology, Toxicology and Pharmaceutics

Domain: Life Sciences

Open Access status: green

OpenAlex ID: W7212249101

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