Oliver Beckstein

Asst Professor

  • 2798 Citations
  • 21 h-Index
20012019
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Research Output 2001 2018

  • 2798 Citations
  • 21 h-Index
  • 45 Article
  • 1 Chapter
  • 1 Conference contribution
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
2 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
4 Citations (Scopus)

Topological Dissection of the Membrane Transport Protein Mhp1 Derived from Cysteine Accessibility and Mass Spectrometry

Calabrese, A. N., Jackson, S. M., Jones, L. N., Beckstein, O., Heinkel, F., Gsponer, J., Sharples, D., Sans, M., Kokkinidou, M., Pearson, A. R., Radford, S. E., Ashcroft, A. E. & Henderson, P. J. F., Sep 5 2017, In : Analytical Chemistry. 89, 17, p. 8844-8852 9 p.

Research output: Contribution to journalArticle

Dissection
Facings
Membrane Transport Proteins
Mass spectrometry
Cysteine
31 Citations (Scopus)

Crystal structures reveal the molecular basis of ion translocation in sodium/proton antiporters

Coincon, M., Uzdavinys, P., Nji, E., Dotson, D. L., Winkelmann, I., Abdul-Hussein, S., Cameron, A. D., Beckstein, O. & Drew, D., Mar 1 2016, In : Nature Structural and Molecular Biology. 23, 3, p. 248-255 8 p.

Research output: Contribution to journalArticle

Sodium-Hydrogen Antiporter
Molecular Structure
Elevators and Escalators
Ions
Glutamate Plasma Membrane Transport Proteins

Projects 2012 2019