Oliver Beckstein

Asst Professor

  • 2981 Citations
  • 23 h-Index
20012022
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Fingerprint Dive into the research topics where Oliver Beckstein is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

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

  • 2981 Citations
  • 23 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 journalComment/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 proceedingConference 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 journalArticle

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 proceedingConference contribution

Molecular dynamics
Trajectories
Electric sparks
Optimal systems
Computer simulation
3 Citations (Scopus)

Ligandbook: An online repository for small and drug-like molecule force field parameters

Domański, J., Beckstein, O. & Iorga, B. I., Jun 1 2017, In : Bioinformatics. 33, 11, p. 1747-1749 3 p.

Research output: Contribution to journalArticle

Force Field
Molecular Dynamics Simulation
Repository
Molecular dynamics
Drugs

Projects 2012 2022

metal ions
cations
transporter
simulation
mutations
Cystic Fibrosis Transmembrane Conductance Regulator
Pharmaceutical Preparations
Conformations
Sampling
Trace amine-associated receptor 1
Protons
Antiporters
Cations
Bile Acids and Salts
Ions
Molecular dynamics
Atoms
Water
Hydrodynamics
Boundary conditions