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Scopus Author ID: 6603049206

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Sweden

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Employment (4)

Uppsala Universitet: Uppsala, SE

2013-01 to present | Researcher (Pharmaceutical Biosciences)
Employment
Source: Self-asserted source
Wesley Schaal

Uppsala Universitet: Uppsala, SE

2013-01 to 2017-03 | Application Expert, Bioinformatics (UPPMAX)
Employment
Source: Self-asserted source
Wesley Schaal

Orexo AB: Uppsala, SE

2007-11 to 2012-11 | Senior Research Scientist (Medicinal Chemistry)
Employment
Source: Self-asserted source
Wesley Schaal

Biolipox AB: Solna, SE

2002-02 to 2007-11 | Computational Chemist (Medicinal Chemistry)
Employment
Source: Self-asserted source
Wesley Schaal

Education and qualifications (2)

Uppsala Universitet: Uppsala, SE

1998 to 2002-02 | PhD (Organic pharmaceutical chemistry, Medicinal chemistry)
Education
Source: Self-asserted source
Wesley Schaal

Massachusetts Institute of Technology: Cambridge, MA, US

1988 to 1991 | SM (Chemistry)
Education
Source: Self-asserted source
Wesley Schaal

Works (48)

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

Cancer Informatics
2022 | Journal article
DOI: 10.1177/11769351221110872
EID:

2-s2.0-85134680444

Part of ISSN: 11769351
Contributors: Schaal, W.; Ameur, A.; Olsson-Strömberg, U.; Hermanson, M.; Cavelier, L.; Spjuth, O.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier

Predicting protein network topology clusters from chemical structure using deep learning

Journal of Cheminformatics
2022 | Journal article
DOI: 10.1186/s13321-022-00622-7
EID:

2-s2.0-85134259211

Part of ISSN: 17582946
Contributors: Sreenivasan, A.P.; Harrison, P.J.; Schaal, W.; Matuszewski, D.J.; Kultima, K.; Spjuth, O.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier

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

2021-06 | Preprint
DOI: 10.12688/f1000research.53698.1
PPR: PPR363134
Contributors: Spjuth O; Capuccini M; Carone M; Larsson A; Schaal W; Novella JA; Stein O; Ekmefjord M; Tommaso PD; Floden E et al.
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central

Predicting target profiles with confidence as a service using docking scores

Journal of Cheminformatics
2020 | Journal article
DOI: 10.1186/s13321-020-00464-1
EID:

2-s2.0-85092745291

Part of ISSN: 17582946
Contributors: Ahmed, L.; Alogheli, H.; McShane, S.A.; Alvarsson, J.; Berg, A.; Larsson, A.; Schaal, W.; Laure, E.; Spjuth, O.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier

Predicting Target Profiles with Confidence as a Service using Docking Scores

2020-09 | Preprint
DOI: 10.21203/rs.3.rs-30526/v2
OTHER-ID:

PPR218828
Contributors: Ahmed L; Alogheli H; Arvidsson S; Alvarsson J; Berg A; Larsson A; Schaal W; Laure E; Spjuth O
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central

Approaches for Containerized Scientific Workflows in Cloud Environments with Applications in Life Science

2020-01 | Preprint
DOI: 10.20944/preprints202001.0378.v1
OTHER-ID:

PPR111576
Contributors: Spjuth O; Capuccini M; Carone M; Larsson A; Schaal W; Novella JA; Stein O; Ekmefjord M; Di Tommaso P; Floden E et al.
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central

Predicting target profiles with confidence as a service using docking scores

Journal of cheminformatics
2020-01 | Journal article
PMC: PMC7566026
Contributors: Ahmed L; Alogheli H; McShane S; Alvarsson J; Berg A; Larsson A; Schaal W; Laure E; Spjuth O
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central

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

Journal of Cheminformatics
2018 | Journal article
DOI: 10.1186/s13321-018-0271-1
EID:

2-s2.0-85045093892

Part of ISSN: 17582946
Contributors: Lapins, M.; Arvidsson, S.; Lampa, S.; Berg, A.; Schaal, W.; Alvarsson, J.; Spjuth, O.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

Efficient iterative virtual screening with Apache Spark and conformal prediction

Journal of Cheminformatics
2018 | Journal article
DOI: 10.1186/s13321-018-0265-z
EID:

2-s2.0-85042857389

Part of ISSN: 17582946
Contributors: Ahmed, L.; Georgiev, V.; Capuccini, M.; Toor, S.; Schaal, W.; Laure, E.; Spjuth, O.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

Rapid increase in carriage rates of enterobacteriaceae producing extended-spectrum β-Lactamases in healthy preschool children, Sweden

Emerging Infectious Diseases
2018 | Journal article
DOI: 10.3201/eid2410.171842
EID:

2-s2.0-85053624919

Part of ISSN: 10806059 10806040
Contributors: Kaarme, J.; Riedel, H.; Schaal, W.; Yin, H.; Nevéus, T.; Melhus, Å.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

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

GigaScience Database
2018 | Dataset
DOI: 10.5524/100421
Contributors: Douglas Glen Scofield; Martin Dahlö; Ola Spjuth; Wesley Schaal
Source: check_circle
DataCite

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

GigaScience
2018 | Journal article
DOI: 10.1093/gigascience/giy028
EID:

2-s2.0-85056730284

Part of ISSN: 2047217X
Contributors: Dahlö, M.; Scofield, D.G.; Schaal, W.; Spjuth, O.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

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

2018-08 | Other
DOI: 10.7287/peerj.preprints.27141
OTHER-ID:

PPR53941
Contributors: Spjuth O; Capuccini M; Carone M; Larsson A; Schaal W; Novella J; Di Tommaso P; Notredame C; Moreno P; Khoonsari PE et al.
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central

Docking of Macrocycles: Comparing Rigid and Flexible Docking in Glide

Journal of Chemical Information and Modeling
2017 | Journal article
DOI: 10.1021/acs.jcim.6b00443
EID:

2-s2.0-85014181743

Part of ISSN: 1549960X 15499596
Contributors: Alogheli, H.; Olanders, G.; Schaal, W.; Brandt, P.; Karlén, A.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

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

Journal of Hospital Infection
2017 | Journal article
DOI: 10.1016/j.jhin.2017.04.017
EID:

2-s2.0-85019131716

Part of ISSN: 15322939 01956701
Contributors: Sütterlin, S.; Dahlö, M.; Tellgren-Roth, C.; Schaal, W.; Melhus, Å.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

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

Journal of Cheminformatics
2017 | Journal article
DOI: 10.1186/s13321-017-0204-4
EID:

2-s2.0-85014678539

Part of ISSN: 17582946
Contributors: Capuccini, M.; Ahmed, L.; Schaal, W.; Laure, E.; Spjuth, O.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

Rdf Dataset For Article: A Confidence Predictor For Logd Using Conformal Regression And A Support-Vector Machine

Zenodo
2017-12-05 | Dataset
DOI: 10.5281/ZENODO.1116889
Contributors: Maris Lapins; Staffan Arvidsson McShane; Samuel Lampa; Berg, Arvid; Wesley Schaal; Jonathan Alvarsson; Ola Spjuth
Source: check_circle
DataCite

Rdf Dataset: A Confidence Predictor For Logd Using Conformal Regression And A Support-Vector Machine

Zenodo
2017-12-05 | Dataset
DOI: 10.5281/ZENODO.1091111
Contributors: Lapins, Maris; Staffan Arvidsson McShane; Samuel Lampa; Berg, Arvid; Wesley Schaal; Alvarsson, Jonathan; Ola Spjuth
Source: check_circle
DataCite

Rdf Dataset: A Confidence Predictor For Logd Using Conformal Regression And A Support-Vector Machine

Zenodo
2017-12-05 | Dataset
DOI: 10.5281/ZENODO.1091112
Contributors: Lapins, Maris; Staffan Arvidsson McShane; Samuel Lampa; Berg, Arvid; Wesley Schaal; Alvarsson, Jonathan; Ola Spjuth
Source: check_circle
DataCite

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

Journal of Cheminformatics
2016 | Journal article
DOI: 10.1186/s13321-016-0151-5
EID:

2-s2.0-84981169092

Part of ISSN: 17582946
Contributors: Alvarsson, J.; Lampa, S.; Schaal, W.; Andersson, C.; Wikberg, J.E.S.; Spjuth, O.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

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

Bioorganic and Medicinal Chemistry Letters
2015 | Journal article
DOI: 10.1016/j.bmcl.2015.05.004
EID:

2-s2.0-84930932471

Part of ISSN: 14643405 0960894X
Contributors: Pelcman, B.; Sanin, A.; Nilsson, P.; No, K.; Schaal, W.; Öhrman, S.; Krog-Jensen, C.; Forsell, P.; Hallberg, A.; Larhed, M. et al.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

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

Bioorganic and Medicinal Chemistry Letters
2015 | Journal article
DOI: 10.1016/j.bmcl.2015.05.007
EID:

2-s2.0-84930929316

Part of ISSN: 14643405 0960894X
Contributors: Pelcman, B.; Sanin, A.; Nilsson, P.; Schaal, W.; Olofsson, K.; Krog-Jensen, C.; Forsell, P.; Hallberg, A.; Larhed, M.; Boesen, T. et al.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

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

Journal of Chemical Information and Modeling
2015 | Journal article
DOI: 10.1021/ci5005465
EID:

2-s2.0-84923359031

Part of ISSN: 1549960X 15499596
Contributors: Lindh, M.; Svensson, F.; Schaal, W.; Zhang, J.; Sköld, C.; Brandt, P.; Karlén, A.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

Automated QuantMap for rapid quantitative molecular network topology analysis

Bioinformatics
2013 | Journal article
DOI: 10.1093/bioinformatics/btt390
EID:

2-s2.0-84883472360

Part of ISSN: 13674803 14602059
Contributors: Schaal, W.; Hammerling, U.; Gustafsson, M.G.; Spjuth, O.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

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

Journal of Biomolecular Screening
2010 | Journal article
DOI: 10.1177/1087057110373383
EID:

2-s2.0-77955809811

Part of ISSN: 1552454X 10870571
Contributors: Dahlström, M.; Forsström, D.; Johannesson, M.; Huque-Andersson, Y.; Björk, M.; Silfverplatz, E.; Sanin, A.; Schaal, W.; Pelcman, B.; Forsell, P.K.A.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

BIS AROMATIC COMPOUNDS FOR USE IN THE TREATMENT OF INFLAMMATION

2009-09 | Patent
OTHER-ID:

WO2010029300
Contributors: PELCMAN BENJAMIN; ALMEIDA MARIA; KATKEVICS MARTINS; NILSSON PETER; SCHAAL WESLEY; OLOFSSON KRISTOFER
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central

BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION

2007-12 | Patent
OTHER-ID:

WO2008071944
Contributors: PELCMAN BENJAMIN; OLOFSSON KRISTOFER; KALVINS IVARS; SUNA EDGARS; OZOLA VITA; SCHAAL WESLEY
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central

Improved CoMFA modeling by optimization of settings

Journal of Chemical Information and Modeling
2006 | Conference paper
DOI: 10.1021/ci049612j
EID:

2-s2.0-33344477772

Part of ISSN: 1549960X 15499596
Contributors: Peterson, S.D.; Schaal, W.; Karlén, A.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION

2006-10 | Patent
OTHER-ID:

WO2007042816
Contributors: PELCMAN Benjamin; OLOFSSON Kristofer; SCHAAL Wesley; KALVINS Ivars; KATKEVICS Martins; OZOLA Vita; SUNA Edgars
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central

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

Bioorganic and Medicinal Chemistry
2005 | Journal article
DOI: 10.1016/j.bmc.2004.10.042
EID:

2-s2.0-11844261443

Part of ISSN: 09680896
Contributors: Ax, A.; Schaal, W.; Vrang, L.; Samuelsson, B.; Hallberg, A.; Karlén, A.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

INDOLES USEFUL IN THE TREATMENT OF INFLAMATION

2005-12 | Patent
OTHER-ID:

WO2006077367
Contributors: PELCMAN BENJAMIN; OLOFSSON KRISTOFER; KATKEVICS MARTINS; OZOLA VITA; SUNA EDGARS; KALVINS IVARS; TRAPENCIERIS PETERIS; KATKEVICA DACE; SCHAAL WESLEY
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central

INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION

2005-12 | Patent
OTHER-ID:

WO2006077365
Contributors: PELCMAN BENJAMIN; OLOFSSON KRISTOFER; KATKEVICS MARTINS; OZOLA VITA; SUNA EDGARS; KALVINS IVARS; SCHAAL WESLEY
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central

INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION

2005-12 | Patent
OTHER-ID:

WO2006077366
Contributors: PELCMAN BENJAMIN; OLOFSSON KRISTOFER; KATKEVICS MARTINS; OZOLA VITA; SUNA EDGARS; KALVINS IVARS; TRAPENCIERIS PETERIS; KATKEVICA DACE; SCHAAL WESLEY
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central

INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION

2005-06 | Patent
OTHER-ID:

WO2005123675
Contributors: OLOFSSON KRISTOFER; SUNA EDGARS; PELCMAN BENJAMIN; OZOLA VITA; KATKEVICS MARTINS; KALVINS IVARS; SCHAAL WESLEY
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central

INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION

2005-06 | Patent
OTHER-ID:

WO2005123674
Contributors: OLOFSSON KRISTOFER; SUNA EDGARS; PELCMAN BENJAMIN; OZOLA VITA; KATKEVICS MARTINS; KALVINS IVARS; SCHAAL WESLEY
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central

USE OF NEW LIPOXYGENASE INHIBITORS

2005-03 | Patent
OTHER-ID:

WO2005084656
Contributors: OLOFSSON Kristofer; PELCMAN Benjamin; NILSSON Peter; SCHAAL Wesley; HALLBERG Anders
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central

IDOLES USEFUL IN THE TREATMENT OF INFLAMMATION

2004-07 | Patent
OTHER-ID:

WO2005005415
Contributors: OLOFSSON KRISTOFER; SUNA EDGARS; PELCMAN BENJAMIN; OZOLA VITA; KATKEVICS MARTINS; KALVINS IVARS; SCHAAL WESLEY
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central

PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION

2004-03 | Patent
OTHER-ID:

WO2004080999
Contributors: HALLBERG Anders; SCHAAL Wesley; LARHED Mats; OLOFSSON Kristofer; PELCMAN Benjamin; SANIN Andrei
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central

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

Journal of Combinatorial Chemistry
2003 | Journal article
DOI: 10.1021/cc0301014
EID:

2-s2.0-0141787013

Part of ISSN: 15204766
Contributors: Nöteberg, D.; Schaal, W.; Hamelink, E.; Vrang, L.; Larhed, M.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

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

European Journal of Biochemistry
2003 | Journal article
DOI: 10.1046/j.1432-1033.2003.03533.x
EID:

2-s2.0-0038409048

Part of ISSN: 00142956
Contributors: Andersson, H.O.; Fridborg, K.; Löwgren, S.; Alterman, M.; Mühlman, A.; Björsne, M.; Garg, N.; Kvarnström, I.; Schaal, W.; Classon, B. et al.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

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

Journal of Medicinal Chemistry
2002 | Journal article
DOI: 10.1021/jm0208370
EID:

2-s2.0-0037028049

Part of ISSN: 00222623
Contributors: Markgren, P.-O.; Schaal, W.; Hämäläinen, M.; Karlén, A.; Hallberg, A.; Samuelsson, B.; Danielson, U.H.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

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

Journal of Medicinal Chemistry
2001 | Journal article
DOI: 10.1021/jm001024j
EID:

2-s2.0-0035905831

Part of ISSN: 00222623
Contributors: Schaal, W.; Karlsson, A.; Ahlsén, G.; Lindberg, J.; Andersson, H.O.; Danielson, U.H.; Classon, B.; Unge, T.; Samuelsson, B.; Hultén, J. et al.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

Characterization of a set of HIV-1 protease inhibitors using binding kinetics data from a biosensor-based screen

Journal of Biomolecular Screening
2000 | Journal article
DOI: 10.1177/108705710000500507
EID:

2-s2.0-0033778280

Part of ISSN: 10870571
Contributors: Hämäläinen, M.D.; Markgren, P.-O.; Schaal, W.; Karlén, A.; Classon, B.; Vrang, L.; Samuelsson, B.; Hallberg, A.; Danielson, U.H.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier

Characterization of a set of HIV-1 protease inhibitors using binding kinetics data from a biosensor-based screen.

2000-10 | Journal article
PMID: 11080694
Contributors: Hämäläinen MD; Markgren PO; Schaal W; Karlén A; Classon B; Vrang L; Samuelsson B; Hallberg A; Danielson UH
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central

Inhibitors of the C<sub>2</sub>-symmetric HIV-1 protease: Nonsymmetric binding of a symmetric cyclic sulfamide with ketoxime groups in the P2/P2' side chains

Journal of Medicinal Chemistry
1999 | Journal article
DOI: 10.1021/jm991054q
EID:

2-s2.0-0033533880

Part of ISSN: 00222623
Contributors: Hultén, J.; Andersson, H.O.; Schaal, W.; Danielson, H.U.; Classon, B.; Kvarnström, I.; Karlén, A.; Unge, T.; Samuelsson, B.; Hallberg, A.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

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

Journal of Medicinal Chemistry
1997 | Journal article
DOI: 10.1021/jm960588d
EID:

2-s2.0-0043222419

Part of ISSN: 00222623
Contributors: Bäckbro, K.; Löwgren, S.; Österlund, K.; Atepo, J.; Unge, T.; Hultén, J.; Bonham, N.M.; Schaal, W.; Karlén, A.; Hallberg, A.
Source: Self-asserted source
Wesley Schaal via Scopus - Elsevier
grade
Preferred source (of 2)‎

Computational studies of HIV-1 protease inhibitors.

Supervised student publication
OTHER-ID:

8221
Contributors: Schaal W
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central

Indoles useful in the treatment of inflammation

Patent
OTHER-ID:

CN101142185
Contributors: BENJAMIN PELCMAN; KRISTOFER OLOFSSON; MARTINS KATKEVICS; VITA OZOLA; EDGARS SUNA; IVARS KALVINS; PETERIS TRAPENCIERIS; DACE KATKEVICA; WESLEY SCHAAL
Source: Self-asserted source
Wesley Schaal via Europe PubMed Central
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