Resolving Protein Conformational Plasticity and Substrate Binding via Machine Learning

Author:

Ahalawat Navjeet1,Sahil Mohammad2,Mondal Jagannath2ORCID

Affiliation:

1. Department of Bioinformatics and Computational Biology, College of Biotechnology, CCS Haryana Agricultural University, Hisar 125 004, Haryana, India

2. Center for Interdisciplinary Sciences, Tata Institute of Fundamental Research, Hyderabad 500046, India

Funder

Department of Atomic Energy, Government of India

Department of Science and Technology, Ministry of Science and Technology

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Reference75 articles.

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5. Shaw, D. E.; Adams, P. J.; Azaria, A.; Bank, J. A.; Batson, B.; Bell, A.; Bergdorf, M.; Bhatt, J.; Butts, J. A.; Correia, T.; Dirks, R. M.; Dror, R. O.; Eastwood, M. P.; Edwards, B.; Even, A.; Feldmann, P.; Fenn, M.; Fenton, C. H.; Forte, A.; Gagliardo, J.; Gill, G.; Gorlatova, M.; Greskamp, B.; Grossman, J. P.; Gullingsrud, J.; Harper, A.; Hasenplaugh, W.; Heily, M.; Heshmat, B. C.; Hunt, J.; Lerardi, D. J.; Iserovich, L.; Jackson, B. L.; Johnson, N. P.; Kirk, M. M.; Klepeis, J. L.; Kuskin, J. S.; Mackenzie, K. M.; Mader, R. J.; McGowen, R.; McLaughlin, A.; Moraes, M. A.; Nasr, M. H.; Nociolo, L. J.; O’Donnell, L.; Parker, A.; Peticolas, J. L.; Pocina, G.; Predescu, C.; Quan, T.; Salmon, J. K.; Schwink, C.; Shim, K. S.; Siddique, N.; Spengler, J.; Szalay, T.; Tabladillo, R.; Tartler, R.; Taube, A. G.; Theobald, M.; Towles, B.; Vick, W.; Wang, S. C.; Wazlowski, M.; Weingarten, M. J.; Williams, J. M.; Yuh, K. A. Anton 3: Twenty Microseconds of Molecular Dynamics Simulation before Lunch. In Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, New York, NY, USA, 2021.

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