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Molecular Dynamics Simulations of Protein Aggregation: Protocols for Simulation Setup and Analysis with Markov State Models and Transition Networks

Suman Samantray, Wibke Schumann, Alexander-Maurice Illig, Martín Carballo‐Pacheco, Arghadwip Paul, Bogdan Barz, Birgit Strodel

2022Methods in molecular biology33 citationsDOI

Topics & Concepts

OligomerProtein aggregationMolecular dynamicsAmyloid (mycology)Amyloid fibrilAmyloid βComputer scienceChemistryMarkov chainNanotechnologyBiophysicsComputational biologyBiologyComputational chemistryMaterials scienceBiochemistryMachine learningMedicinePathologyDiseaseInorganic chemistryOrganic chemistryAlzheimer's disease research and treatmentsProtein Structure and DynamicsBioinformatics and Genomic Networks
Molecular Dynamics Simulations of Protein Aggregation: Protocols for Simulation Setup and Analysis with Markov State Models and Transition Networks | Litcius