James Wellnitz

Publication Activity (10 Years)

Years Active: 2023-2024
Publications (10 Years): 12

Top Topics

Atrial Fibrillation

Molecular Docking

Top Venues

Pharmaceuticals (Basel, Switzerland)

Nature communications

Journal of medicinal chemistry

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Kesatebrhan Haile Asressu, Jeffery L Smith, Rebekah J Dickmander, Nathaniel J Moorman, James Wellnitz, Konstantin I Popov, Alison D Axtman, Timothy M Willson
Synthesis of 5-Benzylamino and 5-Alkylamino-Substituted Pyrimido[4,5-c]quinoline Derivatives as CSNK2A Inhibitors with Antiviral Activity. Pharmaceuticals (Basel, Switzerland) 17 (3) (2024)
Marielle Rath, James Wellnitz, Holli-Joi Sullivan, Cleber Melo-Filho, Joshua E Hochuli, Guilherme Martins Silva, Jon-Michael Beasley, Maxfield Travis, Zoe L Sessions, Konstantin I Popov, Alexey V Zakharov, Artem Cherkasov, Vinicius Alves, Eugene N Muratov, Alexander Trospsha
Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web Tool for Triaging Compounds with Undesired Pharmacokinetics Profiles. Journal of medicinal chemistry (2024)
Kesatebrhan Haile Asressu, Jeffery L Smith, Rebekah J Dickmander, Nathaniel J Moorman, James Wellnitz, Konstantin I Popov, Alison D Axtman, Timothy M Willson
Synthesis of 5-Benzylamino and 5-Alkylamino-Substituted Pyrimido[4,5-c]quinoline Derivatives as CSNK2A Inhibitors with Antiviral Activity. Pharmaceuticals (Basel, Switzerland) 17 (3) (2024)
Kesatebrhan Haile Asressu, Jeffery L Smith, Rebekah J Dickmander, Nathaniel J Moorman, James Wellnitz, Konstantin I Popov, Alison D Axtman, Timothy M Willson
Synthesis of 5-Benzylamino and 5-Alkylamino-Substituted Pyrimido[4,5-c]quinoline Derivatives as CSNK2A Inhibitors with Antiviral Activity. Pharmaceuticals (Basel, Switzerland) 17 (3) (2024)
James Wellnitz, Holli-Joi Sullivan, Mohammad Anwar Hossain, Marielle Rath, Colton Fox, Konstantin I Popov, Timothy M Willson, Eugene N Muratov, Alexander Trospsha
STOPLIGHT: A Hit Scoring Calculator. Journal of chemical information and modeling (2024)
Kristina Edfeldt, Aled Morgan Edwards, Ola Engkvist, Judith Günther, Matthew Hartley, David G Hulcoop, Andrew R Leach, Brian D Marsden, Amelie Tjaden, Leonie Misquitta, Susanne Müller, Dafydd R Owen, Kristof T Schütt, Nicholas Skelton, Andreas Steffen, Alexander Trospsha, Erik Vernet, Yanli Wang, James Wellnitz, Timothy M Willson, Djork-Arné Clevert, Benjamin Haibe-Kains, Lovisa Holmberg Schiavone, Matthieu Schapira
A data science roadmap for open science organizations engaged in early-stage drug discovery. Nature communications 15 (1) (2024)
Kristina Edfeldt, Aled Morgan Edwards, Ola Engkvist, Judith Günther, Matthew Hartley, David G Hulcoop, Andrew R Leach, Brian D Marsden, Amelie Tjaden, Leonie Misquitta, Susanne Müller, Dafydd R Owen, Kristof T Schütt, Nicholas Skelton, Andreas Steffen, Alexander Trospsha, Erik Vernet, Yanli Wang, James Wellnitz, Timothy M Willson, Djork-Arné Clevert, Benjamin Haibe-Kains, Lovisa Holmberg Schiavone, Matthieu Schapira
A data science roadmap for open science organizations engaged in early-stage drug discovery. Nature communications 15 (1) (2024)
Kristina Edfeldt, Aled Morgan Edwards, Ola Engkvist, Judith Günther, Matthew Hartley, David G Hulcoop, Andrew R Leach, Brian D Marsden, Amelie Tjaden, Leonie Misquitta, Susanne Müller, Dafydd R Owen, Kristof T Schütt, Nicholas Skelton, Andreas Steffen, Alexander Trospsha, Erik Vernet, Yanli Wang, James Wellnitz, Timothy M Willson, Djork-Arné Clevert, Benjamin Haibe-Kains, Lovisa Holmberg Schiavone, Matthieu Schapira
A data science roadmap for open science organizations engaged in early-stage drug discovery. Nature communications 15 (1) (2024)
Marielle Rath, James Wellnitz, Holli-Joi Sullivan, Cleber Melo-Filho, Joshua E Hochuli, Guilherme Martins Silva, Jon-Michael Beasley, Maxfield Travis, Zoe L Sessions, Konstantin I Popov, Alexey V Zakharov, Artem Cherkasov, Vinicius Alves, Eugene N Muratov, Alexander Trospsha
Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web Tool for Triaging Compounds with Undesired Pharmacokinetics Profiles. Journal of medicinal chemistry 67 (8) (2024)
James Wellnitz, Holli-Joi Sullivan, Mohammad Anwar Hossain, Marielle Rath, Colton Fox, Konstantin I Popov, Timothy M Willson, Eugene N Muratov, Alexander Trospsha
STOPLIGHT: A Hit Scoring Calculator. Journal of chemical information and modeling 64 (11) (2024)
Kesatebrhan Haile Asressu, Jeffery L Smith, Rebekah J Dickmander, Nathaniel J Moorman, James Wellnitz, Konstantin I Popov, Alison D Axtman, Timothy M Willson
Synthesis of 5-Benzylamino and 5-Alkylamino-Substituted Pyrimido[4,5-c]quinoline Derivatives as CSNK2A Inhibitors with Antiviral Activity. Pharmaceuticals (Basel, Switzerland) 17 (3) (2024)
Vinicius M Alves, Adam Yasgar, James Wellnitz, Ganesha Rai, Marielle Rath, Rodolpho C Braga, Stephen J Capuzzi, Anton Simeonov, Eugene N Muratov, Alexey V Zakharov, Alexander Trospsha
Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds. Journal of medicinal chemistry (2023)