List of works - Wesley Schaal

3-Substituted pyrazoles and 4-substituted triazoles as inhibitors of human 15-lipoxygenase-1

scholarly article by Benjamin Pelcman published in August 2015

A confidence predictor for logD using conformal regression and a support-vector machine

scientific article published on 3 April 2018

Approaches for containerized scientific workflows in cloud environments with applications in life science

Automated QuantMap for rapid quantitative molecular network topology analysis

scientific article published on 4 July 2013

Cyclic sulfamide HIV-1 protease inhibitors, with sidechains spanning from P2/P2' to P1/P1'.

scientific article published in February 2005

Development of a fluorescent intensity assay amenable for high-throughput screening for determining 15-lipoxygenase activity

scientific article

Docking of Macrocycles: Comparing Rigid and Flexible Docking in Glide.

scientific article

Efficient iterative virtual screening with Apache Spark and conformal prediction.

scientific article

High frequency of silver resistance genes in invasive isolates of Enterobacter and Klebsiella species

scientific article published on 26 April 2017

High-speed optimization of inhibitors of the malarial proteases plasmepsin I and II.

scientific article published in July 2003

Improved CoMFA Modeling by Optimization of Settings

Inhibitors of the C(2)-symmetric HIV-1 protease: nonsymmetric binding of a symmetric cyclic sulfamide with ketoxime groups in the P2/P2' side chains

scientific article

Large-scale ligand-based predictive modelling using support vector machines

scientific article (publication date: 2016)

Large-scale virtual screening on public cloud resources with Apache Spark

scientific article

N-Substituted pyrazole-3-carboxamides as inhibitors of human 15-lipoxygenase

scholarly article by Benjamin Pelcman published in August 2015

Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors

scientific article (publication date: April 2003)

Predicting target profiles with confidence as a service using docking scores

scientific article published on 15 October 2020

Rapid Increase in Carriage Rates of Enterobacteriaceae Producing Extended-Spectrum β-Lactamases in Healthy Preschool Children, Sweden

scholarly article by Johan Kaarme et al published October 2018 in Emerging Infectious Diseases

Relationships between structure and interaction kinetics for HIV-1 protease inhibitors

scientific article

Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors

scientific article

Toward a benchmarking data set able to evaluate ligand- and structure-based virtual screening using public HTS data

scientific article

Tracking the NGS revolution: managing life science research on shared high-performance computing clusters

scientific article published on 5 April 2018

Unexpected binding mode of a cyclic sulfamide HIV-1 protease inhibitor

scientific article

List of works by Wesley Schaal

3-Substituted pyrazoles and 4-substituted triazoles as inhibitors of human 15-lipoxygenase-1

A confidence predictor for logD using conformal regression and a support-vector machine

Approaches for containerized scientific workflows in cloud environments with applications in life science

Automated QuantMap for rapid quantitative molecular network topology analysis

Cyclic sulfamide HIV-1 protease inhibitors, with sidechains spanning from P2/P2' to P1/P1'.

Development of a fluorescent intensity assay amenable for high-throughput screening for determining 15-lipoxygenase activity

Docking of Macrocycles: Comparing Rigid and Flexible Docking in Glide.

Efficient iterative virtual screening with Apache Spark and conformal prediction.

High frequency of silver resistance genes in invasive isolates of Enterobacter and Klebsiella species

High-speed optimization of inhibitors of the malarial proteases plasmepsin I and II.

Improved CoMFA Modeling by Optimization of Settings

Inhibitors of the C(2)-symmetric HIV-1 protease: nonsymmetric binding of a symmetric cyclic sulfamide with ketoxime groups in the P2/P2' side chains

Large-scale ligand-based predictive modelling using support vector machines

Large-scale virtual screening on public cloud resources with Apache Spark

N-Substituted pyrazole-3-carboxamides as inhibitors of human 15-lipoxygenase

Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors

Predicting target profiles with confidence as a service using docking scores

Rapid Increase in Carriage Rates of Enterobacteriaceae Producing Extended-Spectrum β-Lactamases in Healthy Preschool Children, Sweden

Relationships between structure and interaction kinetics for HIV-1 protease inhibitors

Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors

Toward a benchmarking data set able to evaluate ligand- and structure-based virtual screening using public HTS data

Tracking the NGS revolution: managing life science research on shared high-performance computing clusters

Unexpected binding mode of a cyclic sulfamide HIV-1 protease inhibitor