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Metadata Source: RepOD

1,981 to 1,990 of 3,097 Results

DatasetSingle-crystal 3D electron diffraction dataset for α-glycine Mar 6, 2024 - DataverseElectron Density Modelling Group, Department of Chemistry, University of Warsaw Dominiak, Paulina; Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof, 2024, "Single-crystal 3D electron diffraction dataset for α-glycine", https://doi.org/10.18150/XCCVDQ, 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 - DataverseUniversity of Gdańsk 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
DatasetAryl versus Alkyl Redox-Active Diazoacetates – Light Induced C-H Insertion or 1,2-Rearrangement Mar 6, 2024 - DataverseInstitute of Organic Chemistry, Polish Academy of Sciences Gryko, Dorota, 2024, "Aryl versus Alkyl Redox-Active Diazoacetates – Light Induced C-H Insertion or 1,2-Rearrangement", https://doi.org/10.18150/ABA4R1, RepOD, V1
DatasetTiming data for the UNRES GPU/CPU MD calculations Mar 6, 2024 - DataverseUniversity of Gdańsk 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 - DataverseUniversity of Gdańsk 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
DatasetOptimization of plasma-driven synthesis of rhenium nanoparticles Mar 5, 2024 - DataverseWrocław University of Science and Technology Cyganowski, Piotr, 2024, "Optimization of plasma-driven synthesis of rhenium nanoparticles", https://doi.org/10.18150/DSTIJA, RepOD, V1
DatasetData for the article entitled: Characterization of magnesium and zinc forms of sodalite coatings on Ti6Al4V ELI for potential application in the release of drugs for osteoporosis Mar 5, 2024 Sandomierski, Mariusz, 2024, "Data for the article entitled: Characterization of magnesium and zinc forms of sodalite coatings on Ti6Al4V ELI for potential application in the release of drugs for osteoporosis", https://doi.org/10.18150/DDDPQB, RepOD, V1
DatasetScalability data of multiple-GPU UNRES and Amber and Martini for comparison with 1-8 A100 GPU cards. Mar 5, 2024 - DataverseUniversity of Gdańsk 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 - DataverseUniversity of Gdańsk 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
DatasetData for the article entitled: Mechanical and Kelvin probe force microscopy investigations of ultrathin membranes based on MoS2 and MoSe2 Mar 5, 2024 - DataverseŁukasiewicz Research Network – PORT Polish Center for Technology Development Piejko, Adrianna, 2024, "Data for the article entitled: Mechanical and Kelvin probe force microscopy investigations of ultrathin membranes based on MoS2 and MoSe2", https://doi.org/10.18150/KTMKWN, RepOD, V1

Single-crystal 3D electron diffraction dataset for α-glycine

Mar 6, 2024 - Electron Density Modelling Group, Department of Chemistry, University of Warsaw

Dominiak, Paulina; Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof, 2024, "Single-crystal 3D electron diffraction dataset for α-glycine", https://doi.org/10.18150/XCCVDQ, 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 - University of Gdańsk

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

Aryl versus Alkyl Redox-Active Diazoacetates – Light Induced C-H Insertion or 1,2-Rearrangement

Mar 6, 2024 - Institute of Organic Chemistry, Polish Academy of Sciences

Gryko, Dorota, 2024, "Aryl versus Alkyl Redox-Active Diazoacetates – Light Induced C-H Insertion or 1,2-Rearrangement", https://doi.org/10.18150/ABA4R1, RepOD, V1

Timing data for the UNRES GPU/CPU MD calculations

Mar 6, 2024 - University of Gdańsk

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 - University of Gdańsk

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

Optimization of plasma-driven synthesis of rhenium nanoparticles

Mar 5, 2024 - Wrocław University of Science and Technology

Cyganowski, Piotr, 2024, "Optimization of plasma-driven synthesis of rhenium nanoparticles", https://doi.org/10.18150/DSTIJA, RepOD, V1

Data for the article entitled: Characterization of magnesium and zinc forms of sodalite coatings on Ti6Al4V ELI for potential application in the release of drugs for osteoporosis

Mar 5, 2024

Sandomierski, Mariusz, 2024, "Data for the article entitled: Characterization of magnesium and zinc forms of sodalite coatings on Ti6Al4V ELI for potential application in the release of drugs for osteoporosis", https://doi.org/10.18150/DDDPQB, RepOD, V1

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

Mar 5, 2024 - University of Gdańsk

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 - University of Gdańsk

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

Data for the article entitled: Mechanical and Kelvin probe force microscopy investigations of ultrathin membranes based on MoS2 and MoSe2

Mar 5, 2024 - Łukasiewicz Research Network – PORT Polish Center for Technology Development

Piejko, Adrianna, 2024, "Data for the article entitled: Mechanical and Kelvin probe force microscopy investigations of ultrathin membranes based on MoS2 and MoSe2", https://doi.org/10.18150/KTMKWN, RepOD, V1

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