Douglas R. Houston

Edinburgh, SCT EH93BF, United Kingdom

Last Updated: 09/26/2026

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Found 35 publications

UniDock-Pro: A Unified GPU-Accelerated Platform for High-Throughput Structure-Based, Ligand-Based, and Synergistic Hybrid Virtual Screening.

UniDock-Pro: A Unified GPU-Accelerated Platform for High-Throughput Structure-Based, Ligand-Based, and Synergistic Hybrid Virtual Screening.

Journal: Journal of chemical information and modeling

Published: February 24, 2026

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13.

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13.

Journal: Journal of chemical information and modeling

Published: June 20, 2025

SCORCH2: A Generalized Heterogeneous Consensus Model for High-Enrichment Interaction-Based Virtual Screening.

SCORCH2: A Generalized Heterogeneous Consensus Model for High-Enrichment Interaction-Based Virtual Screening.

Journal: Advanced science (Weinheim, Baden-Wurttemberg, Germany)

Published: May 08, 2025

AutoDock-SS: AutoDock for Multiconformational Ligand-Based Virtual Screening.

AutoDock-SS: AutoDock for Multiconformational Ligand-Based Virtual Screening.

Journal: Journal of chemical information and modeling

Published: April 16, 2024

From intuition to AI: evolution of small molecule representations in drug discovery.

From intuition to AI: evolution of small molecule representations in drug discovery.

Journal: Briefings in bioinformatics

Published: September 01, 2023

Comparison of ATP-binding pockets and discovery of homologous recombination inhibitors.

Comparison of ATP-binding pockets and discovery of homologous recombination inhibitors.

Journal: Bioorganic & medicinal chemistry

Published: April 27, 2022

SCORCH: Improving structure-based virtual screening with machine learning classifiers, data augmentation, and uncertainty estimation.

SCORCH: Improving structure-based virtual screening with machine learning classifiers, data augmentation, and uncertainty estimation.

Journal: Journal of advanced research

Published: March 05, 2022

Evidence that nuclear receptors are related to terpene synthases.

Evidence that nuclear receptors are related to terpene synthases.

Journal: Journal of molecular endocrinology

Published: January 27, 2022

A 5-FU Precursor Designed to Evade Anabolic and Catabolic Drug Pathways and Activated by Pd Chemistry In Vitro and In Vivo.

A 5-FU Precursor Designed to Evade Anabolic and Catabolic Drug Pathways and Activated by Pd Chemistry In Vitro and In Vivo.

Journal: Journal of medicinal chemistry

Published: January 03, 2022

Modelling of Hepatitis E virus RNA-dependent RNA polymerase genotype 3 from a chronic patient and in silico interaction analysis by molecular docking with Ribavirin.

Modelling of Hepatitis E virus RNA-dependent RNA polymerase genotype 3 from a chronic patient and in silico interaction analysis by molecular docking with Ribavirin.

Journal: Journal of biomolecular structure & dynamics

Published: December 04, 2021

Bypassing the requirement for aminoacyl-tRNA by a cyclodipeptide synthase enzyme.

Bypassing the requirement for aminoacyl-tRNA by a cyclodipeptide synthase enzyme.

Journal: RSC chemical biology

Published: May 03, 2021

Correction: Bypassing the requirement for aminoacyl-tRNA by a cyclodipeptide synthase enzyme.

Correction: Bypassing the requirement for aminoacyl-tRNA by a cyclodipeptide synthase enzyme.

Journal: RSC chemical biology

Published: March 24, 2021

Showing 1-12 of 35

Last Updated: 09/26/2026