Replication Data for: "ddX: Polarizable Continuum Solvation from Small Molecules to Proteins"

DOI

Data for reproducibility of the numerical simulations of the research paper "ddX: Polarizable Continuum Solvation from Small Molecules to Proteins".

Identifier
DOI https://doi.org/10.18419/darus-4030
Metadata Access https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/darus-4030
Provenance
Creator Nottoli, Michele ORCID logo; Herbst, Michael F. ORCID logo; Mikhalev, Aleksandr ORCID logo; Jha, Abhinav ORCID logo; Lipparini, Filippo ORCID logo; Stamm, Benjamin (ORCID: 0000-0003-3375-483X)
Publisher DaRUS
Contributor Nottoli, Michele; Stamm, Benjamin
Publication Year 2024
Funding Reference DFG 440641818 ; DFG INST 40/575-1 FUG
Rights LGPL 3.0 or later; info:eu-repo/semantics/openAccess; https://www.gnu.org/licenses/lgpl-3.0-standalone.html
OpenAccess true
Contact Nottoli, Michele (Universität Stuttgart); Stamm, Benjamin (Universität Stuttgart)
Representation
Resource Type Dataset
Format application/gzip; text/plain
Size 655360; 425093120; 3963023360; 10240; 4631
Version 1.0
Discipline Chemistry; Engineering Sciences; Mechanical and industrial Engineering; Mechanics; Mechanics and Constructive Mechanical Engineering; Natural Sciences