University of Gdańsk

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21 to 30 of 62 Results

Dataset"Terridentification" or (ex)territorial identity. French-language autobiographies of Polish writers of Jewish origins: Langfus, Rawicz, Durocher Apr 25, 2024 Bodzińska, Jadwiga, 2024, ""Terridentification" or (ex)territorial identity. French-language autobiographies of Polish writers of Jewish origins: Langfus, Rawicz, Durocher", https://doi.org/10.18150/0AWL17, RepOD, V1
DatasetSelected data for design and investigation of superatoms for redox applications Apr 17, 2024 Sikorska, Celina, 2024, "Selected data for design and investigation of superatoms for redox applications", https://doi.org/10.18150/TJYXUB, RepOD, V1
DatasetPBE0-D3 results for ligand-protected gold clusters and corresponding cluster-assembled materials Mar 26, 2024 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
DatasetDFT calculation results on the thermally activated delayed fluorescence emitters Mar 18, 2024 Serdiuk, Illia, 2024, "DFT calculation results on the thermally activated delayed fluorescence emitters", https://doi.org/10.18150/XLWFDO, RepOD, V1
DatasetComparison 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 Mar 7, 2024 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
DatasetSite-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 Mar 6, 2024 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
DatasetTiming data for the UNRES GPU/CPU MD calculations Mar 6, 2024 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
DatasetStarting and final structures of selected variants of SARS-CoV2 spike protein from UNRES/MD simulations. Mar 6, 2024 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
DatasetScalability data of multiple-GPU UNRES and Amber and Martini for comparison with 1-8 A100 GPU cards. Mar 5, 2024 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
DatasetInputs for UNRES/MREMD calculations, parameters of the cross-link potentials, and structures modeled with UNRES subject to cross-link restraints. Mar 5, 2024 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

"Terridentification" or (ex)territorial identity. French-language autobiographies of Polish writers of Jewish origins: Langfus, Rawicz, Durocher

Apr 25, 2024

Bodzińska, Jadwiga, 2024, ""Terridentification" or (ex)territorial identity. French-language autobiographies of Polish writers of Jewish origins: Langfus, Rawicz, Durocher", https://doi.org/10.18150/0AWL17, RepOD, V1

Selected data for design and investigation of superatoms for redox applications

Apr 17, 2024

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

PBE0-D3 results for ligand-protected gold clusters and corresponding cluster-assembled materials

Mar 26, 2024

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

DFT calculation results on the thermally activated delayed fluorescence emitters

Mar 18, 2024

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

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

Mar 7, 2024

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

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

Mar 6, 2024

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

Timing data for the UNRES GPU/CPU MD calculations

Mar 6, 2024

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

Starting and final structures of selected variants of SARS-CoV2 spike protein from UNRES/MD simulations.

Mar 6, 2024

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

Scalability data of multiple-GPU UNRES and Amber and Martini for comparison with 1-8 A100 GPU cards.

Mar 5, 2024

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

Inputs for UNRES/MREMD calculations, parameters of the cross-link potentials, and structures modeled with UNRES subject to cross-link restraints.

Mar 5, 2024

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

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