Author

I. B. Kolossvary

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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Biochemistry· 1 Biophysics· 1

Signature Assays, Organisms & Methods

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Approach:deep learning· 2 Assay:multiome· 2 Approach:statistical model· 2 Research Focus:drug response / drug discovery· 1 Research Focus:trajectory inference· 1

Frequent Co-Authors

W. B. Sherman· 1 shared W. Sherman· 1 shared

Activity by Year

2022-2023 · peak 1/yr

Co-Author Collaboration Network

2 top collaborators · 0 mutual co-author links

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1 shared paperBiochemistry

W. B. Sherman

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2 papers

Recent·Most cited

Comprehensive Approach to Simulating Large Scale Conformational Changes in Biological Systems Utilizing a Path Collective Variable and New Barrier Restraint

I. B. Kolossvary, W. Sherman

This paper introduces a three-stage method for constructing path collective variables and a new barrier restraint to simulate conformational changes in biomolecules, validated on three pharmaceutical targets.

bioRxiv · Mar 26, 2023 · PreprintBiophysics

A Different Kind of Restraint Suitable for Molecular Dynamics Simulations

I. B. Kolossvary, W. B. Sherman

This paper introduces a new restraint method for molecular dynamics simulations to improve sampling of complex conformational motions in biological processes.

bioRxiv · Aug 27, 2022 · PreprintBiochemistry