نتائج البحث

Systematic analysis, aggregation and visualisation of interaction fingerprints for molecular dynamics simulation data

• Authors : Jaeger-Honz, Sabrina; Klein, Karsten; Schreiber, Falk

Subjects: Interaction fingerprints; Molecular dynamics simulation; Microcystin

• Source: Journal of Cheminformatics. Springer. 2024, 16(1), 28. eISSN 1758-2946. Verfügbar unter: doi:10.1186/s13321-024-00822-3

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Fast conformational clustering of extensive molecular dynamics simulation data

• Authors : Hunkler, Simon; Diederichs, Kay; Kukharenko, Oleksandra

Subjects: ddc:530

• Source: The Journal of Chemical Physics. AIP Publishing. 2023, 158(14), 144109. ISSN 0021-9606. eISSN 1089-7690. Available under: doi:10.1063/5.0142797

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Investigation of microcystin conformation and binding towards PPP1 by molecular dynamics simulation

• Authors : Jaeger, Sabrina; Nitschke, Jahn; Altaner, Stefan

Subjects: ddc:570

• Source: Chemico-Biological Interactions. Elsevier. 2022, 351, 109766. ISSN 0009-2797. eISSN 1872-7786. Available under: doi:10.1016/j.cbi.2021.109766

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Force-induced unfolding of human telomeric G-quadruplex : a steered molecular dynamics simulation study

• Authors : Li, Hui; Gisler, Thomas; Cao, En-hua

Subjects: G-quadruplex; Unfolding; Steered molecular dynamics simulation

• Source: Biochemical and Biophysical Research Communications. 2009, 379(1), pp. 70-75. Available under: doi:10.1016/j.bbrc.2008.12.006

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Analysis and visual summarization of molecular dynamics simulation

• Authors : Devadoss, Fredrick Robin

Subjects: ddc:540

• Source: Journal of Cheminformatics. 2014, 6(Suppl 1), O16. ISSN 1758-2946. eISSN 1758-2946. Available under: doi:10.1186/1758-2946-6-S1-O16

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Overstretching of a 30 bp DNA duplex studied with steered molecular dynamics simulation: Effects of structural defects on structure and force-extension relation

• Authors : Li, Hui; Gisler, Thomas

Subjects: ddc:530; 87.15; 87.14

• Source: European physical journal / E. 2009, 30(3), pp. 325-332. Available under: doi:10.1140/epje/i2009-10524-5

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Peptides of Aminoxy Acids : A Molecular Dynamics Simulation Study of Conformational Equilibria under Various Conditions

• Authors : Peter, Christine; Daura, Xavier; van Gunsteren, Wilfred F.

Subjects: ddc:540

• Source: Journal of the American Chemical Society : JACS. 2000, 122(31), pp. 7461-7466. ISSN 0002-7863. eISSN 1520-5126. Available under: doi:10.1021/ja000873t

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Simulating and analysing configurational landscapes of protein-protein contact formation

• Authors : Berg, Andrej; Peter, Christine

Subjects: molecular dynamics simulation; protein aggregation; dimensionality reduction

• Source: Interface Focus. 2019, 9(3), 20180062. ISSN 2042-8898. eISSN 2042-8901. Available under: doi:10.1098/rsfs.2018.0062

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Analysis and Visual Summarization of Molecular Dynamics Simulation

• Authors : Devadoss, Fredrick Robin

Subjects: Molecular Dynamics Simulations; Analysis; C-alpha Torsion Angles

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Structural studies on the outer membrane heme receptor of Serratia marcescens using molecular dynamics simulation

• Authors : Becker, Simon

Subjects: ddc:570

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