Lista de obras -

Aminomethylhydroxylation of alkenes: Exploitation in the synthesis of scaffolds for small molecule libraries.

artículo científico publicado en 2015

Chemogenomics in drug discovery: computational methods based on the comparison of binding sites.

artículo científico

Comparability of mixed IC₅₀ data - a statistical analysis

artículo científico publicado en 2013

Design, synthesis and decoration of molecular scaffolds for exploitation in the production of alkaloid-like libraries.

artículo científico publicado en 2014

Discovery of novel cannabinoid receptor ligands by a virtual screening approach: further development of 2,4,6-trisubstituted 1,3,5-triazines as CB2 agonists.

artículo científico publicado en 2012

Expansion of chemical space for collaborative lead generation and drug discovery: the European Lead Factory Perspective. ⬇️

artículo científico publicado en 2015

FieldChopper, a new tool for automatic model generation and virtual screening based on molecular fields.

artículo científico publicado en 2008

Increasing the Throughput of Shape-Based Virtual Screening with GPU Processing and Single Conformation Databases

artículo científico publicado en 2010

Large-Scale Evaluation of CavBase for Analyzing the Polypharmacology of Kinase Inhibitors.

artículo científico publicado en 2011

Machine Learning Boosted Docking (HASTEN): An Open‐source Tool To Accelerate Structure‐based Virtual Screening Campaigns

artículo científico publicado en 2021

Predicting pKa for Small Molecules on Public and In-house Datasets Using Fast Prediction Methods Combined with Data Fusion

scientific article published on 09 May 2019

Price-Focused Analysis of Commercially Available Building Blocks for Combinatorial Library Synthesis.

artículo científico publicado en 2015

Quality Issues with Public Domain Chemogenomics Data.

artículo científico publicado en 2013

Subpocket analysis method for fragment-based drug discovery.

artículo científico publicado en 2013

The experimental uncertainty of heterogeneous public K(i) data.

artículo científico publicado en 2012

Translation of innovative chemistry into screening libraries: an exemplar partnership from the European Lead Factory ⬇️

artículo científico publicado en 2018

Lista de obras de

Aminomethylhydroxylation of alkenes: Exploitation in the synthesis of scaffolds for small molecule libraries.

Chemogenomics in drug discovery: computational methods based on the comparison of binding sites.

Comparability of mixed IC₅₀ data - a statistical analysis

Design, synthesis and decoration of molecular scaffolds for exploitation in the production of alkaloid-like libraries.

Discovery of novel cannabinoid receptor ligands by a virtual screening approach: further development of 2,4,6-trisubstituted 1,3,5-triazines as CB2 agonists.

Expansion of chemical space for collaborative lead generation and drug discovery: the European Lead Factory Perspective. ⬇️

FieldChopper, a new tool for automatic model generation and virtual screening based on molecular fields.

Increasing the Throughput of Shape-Based Virtual Screening with GPU Processing and Single Conformation Databases

Large-Scale Evaluation of CavBase for Analyzing the Polypharmacology of Kinase Inhibitors.

Machine Learning Boosted Docking (HASTEN): An Open‐source Tool To Accelerate Structure‐based Virtual Screening Campaigns

Predicting pKa for Small Molecules on Public and In-house Datasets Using Fast Prediction Methods Combined with Data Fusion

Price-Focused Analysis of Commercially Available Building Blocks for Combinatorial Library Synthesis.

Quality Issues with Public Domain Chemogenomics Data.

Subpocket analysis method for fragment-based drug discovery.

The experimental uncertainty of heterogeneous public K(i) data.

Translation of innovative chemistry into screening libraries: an exemplar partnership from the European Lead Factory ⬇️