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8,671 to 8,680 of 9,299 Results
PIN-WW-overview.xlsx
May 4, 2022 - Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction'
MS Excel Spreadsheet - 11.6 KB - MD5: 7f1ae8b1902bc79662c2588aed8b7eba
Results of the PIN-WW investigation. Digitalized and sorted
README.pdf
README.pdf
May 4, 2022 - Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction'
Adobe PDF - 34.3 KB - MD5: f33bfd94d2572d98247b66c274b6a0c5
Readme covering contents of mutation_study.zip
Ar_87K_random_structures.csv
Apr 26, 2022 - Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
Tabular Data - 53.4 KB - 12 Variables, 510 Observations - UNF:6:+2KKl43onHm9S+jOa+X/GQ==
Results simulation
Ar_ff_variation_in_rand_1_4.csv
Apr 26, 2022 - Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
Tabular Data - 58.8 KB - 12 Variables, 663 Observations - UNF:6:TaReKXjk9P5FA1dc1yBR7Q==
Results simulation
argon.def
Apr 26, 2022 - Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
Plain Text - 570 B - MD5: e56019bd926aaf5589932653c34f641c
Raspa input for molecule
Ar_npt_rand_1_4.csv
Apr 26, 2022 - Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
Tabular Data - 271 B - 12 Variables, 3 Observations - UNF:6:/QbG9OJQX6IG7RTKxZHuJw==
Results simulation
Ar_random_structures.csv
Apr 26, 2022 - Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
Tabular Data - 36.2 KB - 12 Variables, 408 Observations - UNF:6:jox4ORYCdQEOD7OkPZsd/Q==
Results
backup_psd.dat
Apr 26, 2022 - Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
Fixed Field Text Data - 1.5 MB - MD5: ea1072135512a35a1f5f38114153893c
b_void_surface.csv
Apr 26, 2022 - Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
Tabular Data - 1.7 KB - 7 Variables, 21 Observations - UNF:6:nBEcC4Cgq2H3+4LavZ4O+A==
Results simulation
charges_CO2_shifted_stacked.csv
Apr 26, 2022 - Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'
Tabular Data - 21.8 KB - 12 Variables, 240 Observations - UNF:6:pbxZDsEVin9LXn+D/Xkz/g==
Results simulation
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