Oliver Beckstein

Asst Professor

2910 Citations
22 h-Index

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Molecular Dynamics Simulation Medicine & Life Sciences

Molecular dynamics Chemical Compounds

Ion Channels Medicine & Life Sciences

Ions Medicine & Life Sciences

Computer simulation Chemical Compounds

Free energy Chemical Compounds

Sodium-Hydrogen Antiporter Medicine & Life Sciences

field theory (physics) Physics & Astronomy

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Research Output 2001 2019

2910 Citations
22 h-Index
45 Article
2 Conference contribution
1 Chapter
1 Comment/debate

Erratum: Correction: Path Similarity Analysis: A Method for Quantifying Macromolecular Pathways (PLoS computational biology (2015) 11 10 (e1004568))

Seyler, S. L., Kumar, A., Thorpe, M. & Beckstein, O., Jun 1 2019, In : PLoS computational biology. 15, 6, p. e1007136

Research output: Contribution to journal › Comment/debate

Open Access

Computational Biology

bioinformatics

Pathway

Path

methodology

Learning everywhere: Pervasive machine learning for effective high-performance computation

Fox, G., Glazier, J., Kadupitiya, J. C. S., Jadhao, V., Kim, M., Qiu, J., Sluka, J. P., Somogy, E., Marathe, M., Adiga, A., Chen, J., Beckstein, O. & Jha, S., May 1 2019, Proceedings - 2019 IEEE 33rd International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2019. Institute of Electrical and Electronics Engineers Inc., p. 422-429 8 p. 8778333. (Proceedings - 2019 IEEE 33rd International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2019).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Learning systems

Machine Learning

High Performance

Paradigm

Series

1 Citation (Scopus)

SAMPL6: calculation of macroscopic pK _a values from ab initio quantum mechanical free energies

Selwa, E., Kenney, I. M., Beckstein, O. & Iorga, B. I., Jan 1 2018, (Accepted/In press) In : Journal of Computer-Aided Molecular Design.

Research output: Contribution to journal › Article

Free energy

Solvation

Linear Models

free energy

solvation

Task-parallel analysis of molecular dynamics trajectories

Paraskevakos, I., Chantzialexiou, G., Luckow, A., Cheatham, T. E., Khoshlessan, M., Beckstein, O., Fox, G. C. & Jha, S., Aug 13 2018, Proceedings of the 47th International Conference on Parallel Processing, ICPP 2018. Association for Computing Machinery, a49

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Molecular dynamics

Trajectories

Electric sparks

Optimal systems

Computer simulation

2 Citations (Scopus)