Spectroscopy and tautomerization studies of porphycenes
J Waluk - Chemical Reviews, 2017 - ACS Publications
Tautomerization in porphycenes, constitutional isomers of porphyrins, is strongly entangled
with spectral and photophysical parameters. The intramolecular double hydrogen transfer …
with spectral and photophysical parameters. The intramolecular double hydrogen transfer …
Granger causality analysis of chignolin folding
M Sobieraj, P Setny - Journal of Chemical Theory and …, 2022 - ACS Publications
Constantly advancing computer simulations of biomolecules provide huge amounts of data
that are difficult to interpret. In particular, obtaining insights into functional aspects of …
that are difficult to interpret. In particular, obtaining insights into functional aspects of …
Granger causality based on vector time series and quaternion algebra with possible applications to molecular dynamics data analysis
M Sobieraj, MW Kalinowski, B Lesyng - Physical Review E, 2023 - APS
Causal analysis plays a significant role in physics, chemistry, and biology. Dynamics of
complex (bio) molecular and nanosystems, from the microscopic to the macroscopic scale …
complex (bio) molecular and nanosystems, from the microscopic to the macroscopic scale …
[PDF][PDF] Nowe metody analizy mechanizmów funkcjonowania układów biomolekularnych w oparciu o symulacje dynamiki molekularnej
M Sobieraj - 2023 - repozytorium.uw.edu.pl
Przedmiotem badań niniejszej rozprawy doktorskiej są metody analizy mechanizmów
funkcjonowania układów (bio) molekularnych. Pierwsza część badań dotyczy sieci …
funkcjonowania układów (bio) molekularnych. Pierwsza część badań dotyczy sieci …
Theoretical and computational aspects of protein structural alignment
Computing alignments of proteins based on their structure is one of the fundamental tasks of
bioinformatics. It is crucial in all kinds of comparative analysis as well as in performing …
bioinformatics. It is crucial in all kinds of comparative analysis as well as in performing …
[PDF][PDF] Faculty of Physics
M Dziubinski - 2016 - core.ac.uk
This dissertation is concerned with the development and application of unsupervised
machine learning methods in the field of theoretical biophysics and bioinformatics. The …
machine learning methods in the field of theoretical biophysics and bioinformatics. The …
Theoretical and computational aspects of protein structural alignment
Computing alignments of proteins based on their structure is one of the fundamental tasks of
bioinformatics. It is crucial in all kinds of comparative analysis as well as in performing …
bioinformatics. It is crucial in all kinds of comparative analysis as well as in performing …