Literature DB >> 30983889

Exascale Computing: A New Dawn for Computational Biology.

Christopher T Lee1, Rommie E Amaro1.   

Abstract

As biologists discover and learn to embrace the complexity of biological systems, computational data analysis and modeling have become critical for furthering our understanding. Exascale computing will enable the development of new predictive multiscale models, transforming how we study the behaviors of organisms and ecosystems, ultimately leading to new innovations and discoveries.

Entities:  

Year:  2018        PMID: 30983889      PMCID: PMC6458592          DOI: 10.1109/MCSE.2018.05329812

Source DB:  PubMed          Journal:  Comput Sci Eng        ISSN: 1521-9615            Impact factor:   2.080


  5 in total

1.  Frontiers in CryoEM Modeling.

Authors:  Giulia Palermo; Yuji Sugita; Willy Wriggers; Rommie E Amaro
Journal:  J Chem Inf Model       Date:  2019-06-13       Impact factor: 4.956

2.  Heterogeneous CPU+GPU-Enabled Simulations for DFTB Molecular Dynamics of Large Chemical and Biological Systems.

Authors:  Sarah I Allec; Yijing Sun; Jianan Sun; Chia-En A Chang; Bryan M Wong
Journal:  J Chem Theory Comput       Date:  2019-03-27       Impact factor: 6.006

3.  SEEKR2: Versatile Multiscale Milestoning Utilizing the OpenMM Molecular Dynamics Engine.

Authors:  Lane W Votapka; Andrew M Stokely; Anupam A Ojha; Rommie E Amaro
Journal:  J Chem Inf Model       Date:  2022-06-27       Impact factor: 6.162

4.  A new approach for extracting information from protein dynamics.

Authors:  Jenny Liu; Luís A N Amaral; Sinan Keten
Journal:  ArXiv       Date:  2022-03-16

5.  Applications and Challenges of Machine Learning to Enable Realistic Cellular Simulations.

Authors:  Ritvik Vasan; Meagan P Rowan; Christopher T Lee; Gregory R Johnson; Padmini Rangamani; Michael Holst
Journal:  Front Phys       Date:  2020-01-21
  5 in total

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