Výsledky vyhledávání - "Alexander-Maurice Illig"

A hybrid model combining evolutionary probability and machine learning leverages data-driven protein engineering

Autor: Alexander-Maurice Illig, Mehdi D. Davari, Ulrich Schwaneberg, Niklas E. Siedhoff

Protein engineering through directed evolution and (semi-)rational approaches has been applied successfully to optimize protein properties for broad applications in molecular biology, biotechnology, and biomedicine. The potential of protein engineeri

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::00d056c7acfaad7d3274cd61e774c2e0
https://doi.org/10.1101/2022.06.07.495081

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Performance of Markov State Models and Transition Networks on Characterizing Amyloid Aggregation Pathways from MD Data

Autor: Alexander-Maurice Illig, Birgit Strodel

Publikováno v: Journal of chemical theory and computation 16(12), 7825-7839 (2020). doi:10.1021/acs.jctc.0c00727

Molecular dynamic (MD) simulations are an important tool for studying protein aggregation processes, which play a central role in a number of diseases including Alzheimer's disease. However, MD simulations produce large amounts of data, requiring adv

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::df673232e0e99f418cd170a8bdd3c4eb
https://doi.org/10.1021/acs.jctc.0c00727

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

Autor: Suman, Samantray, Wibke, Schumann, Alexander-Maurice, Illig, Martin, Carballo-Pacheco, Arghadwip, Paul, Bogdan, Barz, Birgit, Strodel

Publikováno v: Methods in molecular biology (Clifton, N.J.). 2340

Protein disorder and aggregation play significant roles in the pathogenesis of numerous neurodegenerative diseases, such as Alzheimer's and Parkinson's diseases. The end products of the aggregation process in these diseases are highly structured amyl

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::55e6a86eb0e1adce927ed1683862b15d
https://pubmed.ncbi.nlm.nih.gov/35167078

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Contributors

Autor: Murali Aarthy, Bidisha Acharya, Priyanka Aggarwal, Nabeel Ahmad, Natarajan Aiswarya, Hakan Alici, Khattab Al-Khafaji, Anshul Assaiya, Saurabh Bansal, Suparna Bhar, Aparna Bhardwaj, Dhiraj Bhatia, Neel Sarovar Bhavesh, Joanna Bons, Krishnananda Chattopadhyay, Purna Bahadur Chetri, Orkid Coskuner-Weber, Soumya De, Veronica Isabel Dodero, Jack A. Elias, Agusti Emperador, Roberto Giambruno, Marco Giampà, Rajanish Giri, Steffen P. Graether, Akshita Gupta, Smita Gupta, Md Anzarul Haque, Orkun Hasekioglu, Md Imtaiyaz Hassan, Prajna N. Hebbar, A. Hema Naveena, Maria Georgina Herrera, Alexander-Maurice Illig, Asimul Islam, Matej Janežič, Jeyaraman Jeyakanthan, Suchitra Kamle, Kota Kasahara, Punit Kaur, Heena Khan, Janesh Kumar, Prateek Kumar, Ritesh Kumar, Saravanan Kumar, Vijay Kumar, Pooja Kumari, Varsha Kumari, Bishwajit Kundu, Chun Geun Lee, Dawei Li, Xubo Lin, Snigdha Maiti, Narattam Mandal, Anil Mhashal, Parul Mishra, Ajitha Mohan, Sandip Mukherjee, Sunandan Mukherjee, Niharika Nag, Koomity V. Nageswar, Fouzia Nasim, Santoshi Nayak, Siddharth Neog, Chandran Nithin, Amy O’Broin, Olujide O. Olubiyi, Laura Orellana, Aditya K. Padhi, Amrita Arpita Padhy, Dipak N. Patil, Vijay Kumar Prajapati, Insaf Ahmed Qureshi, Chandrashekar Narayanan Rahul, Anjali Rajwar, Kristijan Ramadan, S. Rashmi, Tadi Sai Ratnakar, Arun Kumar Rawat, Jacob Rose, Anwesha Roy, Jakob Rupert, Subhashree Sahoo, Nikita V. Saibo, Suman Samantray, Nikhil H. Samarth, Madhumathi Sanjeevi, Achinta Sannigrahi, Santanu Sasidharan, Prakash Saudagar, Birgit Schilling, Kanagaraj Sekar, Mansi Sharma, Pradeep Sharma, Sujata Sharma, Vinita Sharma, Kummari Shivani, Abhay Narayan Singh, Anamika Singh, Appu K. Singh, Meenakshi Singh, Sanjeev Kumar Singh, Satyendra Singh, Shailza Singh, Shalini Singh, Sudhir Kumar Singh, Tej P. Singh, Tugba Taskin-Tok, Arianne L. Theiss, Nicolo Tonali, Timir Tripathi, Vishal Trivedi, Vladimir N. Uversky, Payal Vaswani, K. Venuprasad, Elsa Zacco, Kam Y.J. Zhang

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::8ebc2116dc18e4be848d6c848acde5d9
https://doi.org/10.1016/b978-0-323-90264-9.09988-8

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

Autor: Suman Samantray, Wibke Schumann, Alexander-Maurice Illig, Martin Carballo-Pacheco, Arghadwip Paul, Bogdan Barz, Birgit Strodel

Publikováno v: New York, NY : Springer US, Methods in Molecular Biology 2340, 235-279 (2022). doi:10.1007/978-1-0716-1546-1_12
Computer Simulations of Aggregation of Proteins and Peptides / Li, Mai Suan (Editor) ; New York, NY : Springer US, 2022, Chapter 12 ; ISSN: 1064-3745=1940-6029 ; ISBN: 978-1-0716-1545-4=978-1-0716-1546-1 ; doi:10.1007/978-1-0716-1546-1
Methods in Molecular Biology ISBN: 9781071615454

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8d86b44b92a19cce9958e8d4c8139fa2
https://hdl.handle.net/2128/33234

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PyPEF-An Integrated Framework for Data-Driven Protein Engineering

Autor: Ulrich Schwaneberg, Mehdi D. Davari, Niklas E Siedhoff, Alexander-Maurice Illig

Publikováno v: Journal of chemical information and modeling. 61(7)

Data-driven strategies are gaining increased attention in protein engineering due to recent advances in access to large experimental databanks of proteins, next-generation sequencing (NGS), high-throughput screening (HTS) methods, and the development

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::83def8c1a4bfb0017094b1f21e51f32b
https://pubmed.ncbi.nlm.nih.gov/34260225

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