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License: CC BY - Creative Commons Attribution 4.0

31 to 40 of 42 Results

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
DatasetStructures from simulations of 4YY2, 6SD5 and 2BL2 systems. Mar 5, 2024 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
DatasetDistributions of the cosines of the interdomain angle and P2 domain to VLP surface normal angles. Mar 5, 2024 Lipska, Agnieszka; Sieradzan, Adam K.; Czaplewski, Cezary; Lipińska, Andrea D.; Ocetkiewicz, Krzysztof M.; Proficz, Jerzy; Czarnul, Paweł; Krawczyk, Henryk; Liwo, Adam, 2024, "Distributions of the cosines of the interdomain angle and P2 domain to VLP surface normal angles.", https://doi.org/10.18150/U8UDNT, RepOD, V1
DatasetSerum levels of heat shock protein 90 (Hsp90) in patients with atopic dermatitis and healthy controls Sep 4, 2023 Tukaj, Stefan, 2023, "Serum levels of heat shock protein 90 (Hsp90) in patients with atopic dermatitis and healthy controls", https://doi.org/10.18150/XEGQLR, RepOD, V1
DatasetDFT calculation results on the diphenylsulphone derivatives (DMAC-DPS) TADF emitters Aug 8, 2023 Serdiuk, Illia, 2023, "DFT calculation results on the diphenylsulphone derivatives (DMAC-DPS) TADF emitters", https://doi.org/10.18150/LQLBVF, RepOD, V1
DatasetDFT calculation results on the thermally activated delayed fluorescence emitters Aug 8, 2023 Serdiuk, Illia, 2023, "DFT calculation results on the thermally activated delayed fluorescence emitters", https://doi.org/10.18150/CYSIWO, RepOD, V1
DatasetParameters for distance restraints from NMR-data for UNRES package May 26, 2023 Lubecka, Emilia; Liwo, Adam, 2023, "Parameters for distance restraints from NMR-data for UNRES package", https://doi.org/10.18150/NDMOYH, RepOD, V1
DatasetUNRES MREMD-generated all atom structures of aggregated biologically-active peptides May 26, 2023 Biskupek, Iga; Czaplewski, Cezary; Sawicka, Justyna; Iłowska, Emilia; Dzierżyńska, Maria; Rodziewicz-Motowidło, Sylwia; Liwo, Adam, 2023, "UNRES MREMD-generated all atom structures of aggregated biologically-active peptides", https://doi.org/10.18150/34ELBK, RepOD, V1
DatasetData plot sets for comparison of parallel implementation of UNRES package May 26, 2023 Sieradzan, Adam; Sans-Duñó, Jordi; Lubecka, Emilia; Czaplewski, Cezary; Lipska, Agnieszka; Leszczyński, Henryk; Ocetkiewicz, Krzysztof; Proficz, Jerzy; Czarnul, Paweł; Krawczyk, Henryk; Liwo, Adam, 2023, "Data plot sets for comparison of parallel implementation of UNRES package", https://doi.org/10.18150/UKE4VT, RepOD, V1
DatasetRaw data for histograms and heat maps for determining the origin of correlations between local conformational states of consecutive amino acid residues and their role in shaping protein structures and in allostery May 26, 2023 Sikorska, Celina; Liwo, Adam, 2023, "Raw data for histograms and heat maps for determining the origin of correlations between local conformational states of consecutive amino acid residues and their role in shaping protein structures and in allostery", https://doi.org/10.18150/5L2EJP, 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

Structures from simulations of 4YY2, 6SD5 and 2BL2 systems.

Mar 5, 2024

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

Distributions of the cosines of the interdomain angle and P2 domain to VLP surface normal angles.

Mar 5, 2024

Lipska, Agnieszka; Sieradzan, Adam K.; Czaplewski, Cezary; Lipińska, Andrea D.; Ocetkiewicz, Krzysztof M.; Proficz, Jerzy; Czarnul, Paweł; Krawczyk, Henryk; Liwo, Adam, 2024, "Distributions of the cosines of the interdomain angle and P2 domain to VLP surface normal angles.", https://doi.org/10.18150/U8UDNT, RepOD, V1

Serum levels of heat shock protein 90 (Hsp90) in patients with atopic dermatitis and healthy controls

Sep 4, 2023

Tukaj, Stefan, 2023, "Serum levels of heat shock protein 90 (Hsp90) in patients with atopic dermatitis and healthy controls", https://doi.org/10.18150/XEGQLR, RepOD, V1

DFT calculation results on the diphenylsulphone derivatives (DMAC-DPS) TADF emitters

Aug 8, 2023

Serdiuk, Illia, 2023, "DFT calculation results on the diphenylsulphone derivatives (DMAC-DPS) TADF emitters", https://doi.org/10.18150/LQLBVF, RepOD, V1

DFT calculation results on the thermally activated delayed fluorescence emitters

Aug 8, 2023

Serdiuk, Illia, 2023, "DFT calculation results on the thermally activated delayed fluorescence emitters", https://doi.org/10.18150/CYSIWO, RepOD, V1

Parameters for distance restraints from NMR-data for UNRES package

May 26, 2023

Lubecka, Emilia; Liwo, Adam, 2023, "Parameters for distance restraints from NMR-data for UNRES package", https://doi.org/10.18150/NDMOYH, RepOD, V1

UNRES MREMD-generated all atom structures of aggregated biologically-active peptides

May 26, 2023

Biskupek, Iga; Czaplewski, Cezary; Sawicka, Justyna; Iłowska, Emilia; Dzierżyńska, Maria; Rodziewicz-Motowidło, Sylwia; Liwo, Adam, 2023, "UNRES MREMD-generated all atom structures of aggregated biologically-active peptides", https://doi.org/10.18150/34ELBK, RepOD, V1

Data plot sets for comparison of parallel implementation of UNRES package

May 26, 2023

Sieradzan, Adam; Sans-Duñó, Jordi; Lubecka, Emilia; Czaplewski, Cezary; Lipska, Agnieszka; Leszczyński, Henryk; Ocetkiewicz, Krzysztof; Proficz, Jerzy; Czarnul, Paweł; Krawczyk, Henryk; Liwo, Adam, 2023, "Data plot sets for comparison of parallel implementation of UNRES package", https://doi.org/10.18150/UKE4VT, RepOD, V1

Raw data for histograms and heat maps for determining the origin of correlations between local conformational states of consecutive amino acid residues and their role in shaping protein structures and in allostery

May 26, 2023

Sikorska, Celina; Liwo, Adam, 2023, "Raw data for histograms and heat maps for determining the origin of correlations between local conformational states of consecutive amino acid residues and their role in shaping protein structures and in allostery", https://doi.org/10.18150/5L2EJP, RepOD, V1

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