W. Schaal

发表

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

J. Hulten, B. Samuelsson, A. Hallberg, 2001, Journal of medicinal chemistry.

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

Wesley Schaal, Anders Karlén, Anders Hallberg, 2002, Journal of medicinal chemistry.

Computational Studies of HIV-1 Protease Inhibitors

W. Schaal, 2002 .

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

K Osterlund, J. Hulten, A. Hallberg, 1997, Journal of medicinal chemistry.

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

C. Notredame, Marco Capuccini, Stephanie Herman, 2018, F1000Research.

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

A. Hallberg, H. Claésson, T. Groth, 2015, Bioorganic & medicinal chemistry letters.

Migrating to Long-Read Sequencing for Clinical Routine BCR-ABL1 TKI Resistance Mutation Screening

A. Ameur, U. Olsson‐Strömberg, O. Spjuth, 2022, Cancer informatics.

Predicting target profiles with confidence as a service using docking scores

Staffan Arvidsson McShane, E. Laure, Anders Larsson, 2020, Journal of Cheminformatics.

Characterization of a Set of HIV-1 Protease Inhibitors Using Binding Kinetics Data from a Biosensor-Based Screen

L. Vrang, B. Samuelsson, A. Hallberg, 2000, Journal of biomolecular screening.

Predicting protein network topology clusters from chemical structure using deep learning

Damian J. Matuszewski, K. Kultima, O. Spjuth, 2022, Journal of Cheminformatics.

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

A. Hallberg, H. Claésson, C. Krog-Jensen, 2015, Bioorganic & medicinal chemistry letters.

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

D. Nöteberg, Elizabeth Hamelink, L. Vrang, 2003, Journal of combinatorial chemistry.

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

L. Vrang, B. Samuelsson, A. Hallberg, 2005, Bioorganic & medicinal chemistry.

Improved CoMFA Modeling by Optimization of Settings

Wesley Schaal, Anders Karlén, Shane D. Peterson, 2006, J. Chem. Inf. Model..

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

Ola Spjuth, Wesley Schaal, Martin Dahlö, 2018, GigaScience.

Exploring the usefulness of morphological profiling of cells to study toxicity mechanisms

O. Spjuth, W. Schaal, P. Georgieva, 2018, Toxicology Letters.

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

Wesley Schaal, Anders Karlén, Magnus Björsne, 2003, European journal of biochemistry.

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

Ola Spjuth, Jonathan Alvarsson, Jarl E. S. Wikberg, 2016, Journal of Cheminformatics.

Docking of Macrocycles: Comparing Rigid and Flexible Docking in Glide

Wesley Schaal, Peter Brandt, Anders Karlén, 2017, J. Chem. Inf. Model..

15-Lipoxygenase Activity Development of a Fluorescent Intensity Assay Amenable for High-Throughput Screening for Determining

W. Schaal, M. Johannesson, B. Pelcman, 2013 .

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.

J. Hulten, B. Samuelsson, A. Hallberg, 1999, Journal of medicinal chemistry.

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

Ola Spjuth, Jonathan Alvarsson, Arvid Berg, 2018, Journal of Cheminformatics.

Development of a Fluorescent Intensity Assay Amenable for High-Throughput Screening for Determining 15-Lipoxygenase Activity

W. Schaal, M. Johannesson, B. Pelcman, 2010, Journal of biomolecular screening.

Indoles useful for the treatment of inflammation.

W. Schaal, E. Suna, V. Ozola, 2005 .