Author

O. V. Kalinina

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biophysics· 2 Evolutionary Biology· 1

Signature Assays, Organisms & Methods

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Research Focus:protein folding & dynamics· 2 Approach:statistical model· 2 Approach:deep learning· 1 Research Focus:drug response / drug discovery· 1 Approach:mechanistic / dynamical model· 1 Assay:multiome· 1 Assay:protein structure· 1 Assay:proteomics· 1

Frequent Co-Authors

C. F. Sousa· 1 shared C.-m. Lehr· 1 shared G. A. Bazykin· 1 shared G. V. Klink· 1 shared J. S. Hub· 1 shared M. Ahmad· 1 shared R. Becker· 1 shared T. Lengauer· 1 shared

Activity by Year

2018-2022 · peak 1/yr

Co-Author Collaboration Network

9 top collaborators · 10 mutual co-author links

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1 shared paperBiophysics

C. F. Sousa

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Author profile →

3 papers

Recent·Most cited

Simulated tempering-enhanced umbrella sampling improves convergence of free energy calculations of drug membrane permeation

C. F. Sousa, R. Becker, C.-m. Lehr, O. V. Kalinina, J. S. Hub

This study introduces STeUS, a method combining simulated tempering and umbrella sampling to improve convergence of free energy calculations for drug membrane permeation, showing significant acceleration for bulky molecules.

bioRxiv · Nov 13, 2022Biophysics

Phylogenetic inference of changes in amino acid propensities with single-position resolution

G. V. Klink, O. V. Kalinina, G. A. Bazykin

This paper develops a method to detect changes in amino acid fitness across lineages using phylogenetic and sequence data, validated on HIV-1 and influenza A proteins.

bioRxiv · Jan 7, 2021Evolutionary Biology

Relative Principal Components Analysis: Application to Analyzing Biomolecular Conformational Changes

M. Ahmad, V. Helms, O. V. Kalinina, T. Lengauer

This paper introduces RPCA to analyze conformational changes in HIV-1 protease upon drug binding, showing it provides a thermodynamic framework for understanding structural dynamics.

bioRxiv · Oct 20, 2018Biophysics