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A divide-and-conquer approach to compute collision cross sections in the projection approximation method

Research output: Contribution to journal › Article › peer-review

Standard Standard

A divide-and-conquer approach to compute collision cross sections in the projection approximation method. / Paizs, B.; Paisz, B.
In: International Journal of Mass Spectrometry, Vol. 378, 22.10.2014, p. 360-363.

Research output: Contribution to journal › Article › peer-review

HarvardHarvard

Paizs, B & Paisz, B 2014, 'A divide-and-conquer approach to compute collision cross sections in the projection approximation method', International Journal of Mass Spectrometry, vol. 378, pp. 360-363. https://doi.org/10.1016/j.ijms.2014.10.005

APA

Paizs, B., & Paisz, B. (2014). A divide-and-conquer approach to compute collision cross sections in the projection approximation method. International Journal of Mass Spectrometry, 378, 360-363. https://doi.org/10.1016/j.ijms.2014.10.005

CBE

Paizs B, Paisz B. 2014. A divide-and-conquer approach to compute collision cross sections in the projection approximation method. International Journal of Mass Spectrometry. 378:360-363. https://doi.org/10.1016/j.ijms.2014.10.005

MLA

Paizs, B. and B. Paisz. "A divide-and-conquer approach to compute collision cross sections in the projection approximation method". International Journal of Mass Spectrometry. 2014, 378. 360-363. https://doi.org/10.1016/j.ijms.2014.10.005

VancouverVancouver

Paizs B, Paisz B. A divide-and-conquer approach to compute collision cross sections in the projection approximation method. International Journal of Mass Spectrometry. 2014 Oct 22;378:360-363. doi: 10.1016/j.ijms.2014.10.005

Author

Paizs, B. ; Paisz, B. / A divide-and-conquer approach to compute collision cross sections in the projection approximation method. In: International Journal of Mass Spectrometry. 2014 ; Vol. 378. pp. 360-363.

RIS

TY - JOUR

T1 - A divide-and-conquer approach to compute collision cross sections in the projection approximation method

AU - Paizs, B.

AU - Paisz, B.

PY - 2014/10/22

Y1 - 2014/10/22

N2 - The prevalent method to compute collision cross sections of large molecules is the projection approximation (PA) method that involves Monte Carlo (MC) integration of molecular projections on randomly chosen planes. Here we propose a new strategy to compute these projections based on a divide-and-conquer (DC) strategy. It is demonstrated that the DC method is faster and results in more accurate molecular projections than MC integration for large biomolecules using similar integration criteria. A new software tool (CCS) is presented for efficient computation of collision cross sections in the PA method.

AB - The prevalent method to compute collision cross sections of large molecules is the projection approximation (PA) method that involves Monte Carlo (MC) integration of molecular projections on randomly chosen planes. Here we propose a new strategy to compute these projections based on a divide-and-conquer (DC) strategy. It is demonstrated that the DC method is faster and results in more accurate molecular projections than MC integration for large biomolecules using similar integration criteria. A new software tool (CCS) is presented for efficient computation of collision cross sections in the PA method.

U2 - 10.1016/j.ijms.2014.10.005

DO - 10.1016/j.ijms.2014.10.005

M3 - Article

VL - 378

SP - 360

EP - 363

JO - International Journal of Mass Spectrometry

JF - International Journal of Mass Spectrometry

SN - 1387-3806

ER -