University of Gdańsk

Sikorska, Celina, 2024, "Selected data for design and investigation of superatoms for redox applications", https://doi.org/10.18150/TJYXUB, RepOD, V1

Sikorska, Celina; Vincent, Emma; Schnepf, Andreas; Gaston, Nicola, 2024, "PBE0-D3 results for ligand-protected gold clusters and corresponding cluster-assembled materials", https://doi.org/10.18150/NMVMI9, RepOD, V1

Serdiuk, Illia, 2024, "DFT calculation results on the thermally activated delayed fluorescence emitters", https://doi.org/10.18150/XLWFDO, RepOD, V1

Plotka, Magdalena, 2024, "Comparison of the Antibacterial Activity of Selected Deep Eutectic Solvents (DESs) and Deep Eutectic Solvents Comprising Organic Acids (OA-DESs) Toward Gram-Positive and Gram-Negative Species", https://doi.org/10.18150/WGD28R, RepOD, V1

Lipska, Agnieszka G.; Sieradzan, Adam K.; Atmaca, Sümeyye; Czaplewski, Cezary; Liwo, Adam, 2024, "Site-based virtual-bond torsional and improper-torsional potentials of the terminally-blocked Ala-Ala dipeptide and terminally-blocked alanine, respectively calculated from the PM7/PCM energy surfaces", https://doi.org/10.18150/UEWYHQ, RepOD, V1

Ocetkiewicz, Krzysztof M.; Czaplewski, Cezary; Krawczyk, Henryk; Lipska, Agnieszka G.; Liwo, Adam; Proficz, Jerzy; Sieradzan, Adam K.; Czarnul, Paweł, 2024, "Timing data for the UNRES GPU/CPU MD calculations", https://doi.org/10.18150/NJ8ROW, RepOD, V1

Biskupek, Iga; Giełdoń, Artur, 2024, "Starting and final structures of selected variants of SARS-CoV2 spike protein from UNRES/MD simulations.", https://doi.org/10.18150/YYN6NK, RepOD, V1

Ocetkiewicz, Krzysztof M.; Czaplewski, Cezary; Krawczyk, Henryk; Lipska, Agnieszka G.; Liwo, Adam; Proficz, Jerzy; Sieradzan, Adam K.; Czarnul, Paweł, 2024, "Scalability data of multiple-GPU UNRES and Amber and Martini for comparison with 1-8 A100 GPU cards.", https://doi.org/10.18150/H2AUTC, RepOD, V1

Leśniewski, Mateusz; Pyrka, Maciej; Czaplewski, Cezary; Truong Co, Nguyen; Jiang, Yida; Gong, Zhou; Tang, Chun; Liwo, Adam, 2024, "Inputs for UNRES/MREMD calculations, parameters of the cross-link potentials, and structures modeled with UNRES subject to cross-link restraints.", https://doi.org/10.18150/CYNEXB, RepOD, V1

Liwo, Adam; Pyrka, Maciej; Czaplewski, Cezary; Peng, Xubiao; Niemi, Antti J., 2024, "Structures from simulations of 4YY2, 6SD5 and 2BL2 systems.", https://doi.org/10.18150/YU0RPU, RepOD, V1