Expanding the boundaries of ligand–target modeling by exascale calculations-Reference-Cited by-同舟云学术

Expanding the boundaries of ligand–target modeling by exascale calculations

Published:2021-04-10 Issue:4 Volume:11 Page:
ISSN:1759-0876
Container-title:WIREs Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Bolnykh Viacheslav¹²^ORCID,Rossetti Giulia²³⁴^ORCID,Rothlisberger Ursula¹^ORCID,Carloni Paolo⁵⁶^ORCID

Affiliation:

1. Laboratory of Computational Chemistry and Biochemistry École Polytechnique Fédérale de Lausanne Lausanne Switzerland

2. Computational Biomedicine, Institute of Neuroscience and Medicine (INM‐9)/Institute for Advanced Simulations (IAS‐5) Forschungszentrum Jülich Jülich Germany

3. Jülich Supercomputing Centre (JSC) Forschungszentrum Jülich Jülich Germany

4. Department of Hematology, Oncology, Hemostaseology and Stem Cell Transplantation University Hospital Aachen RWTH Aachen University Aachen Germany

5. Institute for Neuroscience and Medicine and Institute for Advanced Simulations (IAS‐5/INM‐9) “Computational Biomedicine” Forschungszentrum Jülich Jülich Germany

6. JARA‐Institute INM‐11 “Molecular Neuroscience and Neuroimaging” Forschungszentrum Jülich Jülich Germany

Funder

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

Horizon 2020 Framework Programme

European Commission

Deutsche Forschungsgemeinschaft

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1535