Douglas Lowe

Data analysis workflows, reproducibility and sharing with RO-Crate in Materials Galaxy

Edmund Chadwick, Abraham Nieva de la Hidalga, P. W. Austin, Douglas Lowe et autres

Tutorial delivered as part of PSDI & Royce Materials Data Summit, 29 July 2026, The University of Manchester, UK. Description This tutorial introduces the Research Crate Object (RO-Crate), Galaxy and reproducible workflows in Materials Science. We begin with RO-Crate and applications in …

gb (code pays fourni par la source)

Data analysis workflows, reproducibility and sharing with RO-Crate in Materials Galaxy

Edmund Chadwick, Abraham Nieva de la Hidalga, P. W. Austin, Douglas Lowe et autres

Tutorial delivered as part of PSDI & Royce Materials Data Summit, 29 July 2026, The University of Manchester, UK. Description This tutorial introduces the Research Crate Object (RO-Crate), Galaxy and reproducible workflows in Materials Science. We begin with RO-Crate and applications in …

gb (code pays fourni par la source)

RO-Crate Metadata Specification 1.3.0

Peter Sefton, Eoghan Ó Carragáin, Stian Soiland‐Reyes, Óscar Corcho et autres

Web-version: https://w3id.org/ro/crate/1.3 This document specifies a method, known as RO-Crate (Research Object Crate), of aggregating and describing data for distribution, re-use, publishing, preservation and archiving. RO-Crates aggregate data into a Dataset, and may describe any resource including files, URI-addressable resources, or use …

au, ie, gb, es, pl, be, us, nl, it, fr, nz, de, ch, si, cn, jp, at, br, no (code pays fourni par la source)

RO-Crate Metadata Specification 1.3.0

Peter Sefton, Eoghan Ó Carragáin, Stian Soiland-Reyes, Óscar Corcho et autres

Web-version: https://w3id.org/ro/crate/1.3 This document specifies a method, known as RO-Crate (Research Object Crate), of aggregating and describing data for distribution, re-use, publishing, preservation and archiving. RO-Crates aggregate data into a Dataset, and may describe any resource including files, URI-addressable resources, or use …

Biases in simulating Amazon moisture transport: a convection-permitting versus regional climate model intercomparison

Murilo Ruv Lemes, Gilberto Fisch, Lincoln M. Alves, José Augusto Veiga et autres

Abstract The dynamics of moisture transport in the Amazon are key to the South American water cycle. Convection-permitting regional climate models (CPRCMs) offer a valuable tool to better understand these processes. This study evaluates integrated water vapor transport (IVT) and precipitation in …

br, gb (code pays fourni par la source)

Jupyter Notebook Protein-ligand Docking tutorial (Fpocket)

Douglas Lowe, Adam Hospital, Genís Bayarri

# Protein-ligand Docking tutorials using BioExcel Building Blocks (biobb) This tutorials aim to illustrate the process of **protein-ligand docking**, step by step, using the **BioExcel Building Blocks library (biobb)**. The particular examples used are based on the **Mitogen-activated protein kinase 14** (p38-α) …

Jupyter Notebook Protein-ligand Docking tutorial (PDBe REST API)

Adam Hospital, Douglas Lowe, Genís Bayarri

# Protein-ligand Docking tutorials using BioExcel Building Blocks (biobb) This tutorials aim to illustrate the process of **protein-ligand docking**, step by step, using the **BioExcel Building Blocks library (biobb)**. The particular examples used are based on the **Mitogen-activated protein kinase 14** (p38-α) …

Jupyter Notebook Protein-ligand Docking tutorial (Cluster90)

Douglas Lowe, Genís Bayarri, Adam Hospital

# Protein-ligand Docking tutorials using BioExcel Building Blocks (biobb) This tutorials aim to illustrate the process of **protein-ligand docking**, step by step, using the **BioExcel Building Blocks library (biobb)**. The particular examples used are based on the **Mitogen-activated protein kinase 14** (p38-α) …

Jupyter Notebook GMX Notebook Automatic Ligand Parameterization tutorial

Genís Bayarri, Adam Hospital, Douglas Lowe

# Automatic Ligand parameterization tutorial using BioExcel Building Blocks (biobb) *** This tutorial aims to illustrate the process of **ligand parameterization** for a **small molecule**, step by step, using the **BioExcel Building Blocks library (biobb)**. The particular example used is the **Sulfasalazine** …

Biases in simulating Amazon moisture transport: a convection-permitting vs regional climate model intercomparison

Murilo da Costa Ruv Lemes, Gilberto Fisch, Lincoln Muniz Alves, José Augusto Paixão Veiga et autres

br, gb (code pays fourni par la source)

Identification of a potential novel HLA-B allele with a large exonic deletion using HybriType™ and AllType Rapid™ sequencing with TypeStream™ visual

Paul M. Gontarz, Heriberto López, P. Brescia, Jack Chen et autres

us (code pays fourni par la source)

Rethinking the Spanish plume: An airstream analysis challenges the canonical conceptual model

David M. Schultz, Francisco Herrerías‐Azcué, Douglas Lowe, Daniel J. Kirshbaum et autres

Abstract The canonical Spanish plume is a summertime southerly airstream that is heated while travelling across the Meseta Central on the Iberian Peninsula, developing into an elevated mixed layer farther poleward. A recent review of the literature paints a sometimes unevidenced, inconsistent, …

gb, ca (code pays fourni par la source)