Author

E.A. Nalivaika

University of Massachusetts Chan Medical SchoolORCID 0000-0002-2654-1513Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Biophysics· 1 Molecular Biology· 1

Signature Assays, Organisms & Methods

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Research Focus:drug response / drug discovery· 2 Approach:experimental assay· 1 Organism:human· 1 Approach:machine learning (classical)· 1 Assay:protein structure· 1 Assay:proteomics· 1 Approach:statistical model· 1

Frequent Co-Authors

Akbar AliiD· 2 shared Celia A. SchifferiD· 2 shared K. KosovrastiiD· 2 shared M. HenesiD· 2 shared Neşe Kurt YılmaziD· 2 shared Ala M. ShaqraiD· 1 shared Florian LeidneriD· 1 shared G.J. LockbaumiD· 1 shared

Activity by Year

2018-2026 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 39 mutual co-author links

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2 shared papersBiophysics

Akbar AliORCID

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2 papers

Recent·Most cited

BiophysicsbioRxivPreprintOct 1, 2026

A Dynamics-Informed Machine Learning Framework for Inhibitor Optimization Against Quickly Evolving Targets to Avoid Resistance

Lauren E. Intravaia, Jagroop Kaur, Ala M. Shaqra…·Celia A. Schiffer

This paper introduces ROBUST, a machine learning framework that identifies energetic determinants of inhibitor potency against evolving targets, demonstrating its utility in predicting and optimizing inhibitors with improved resistance profiles.

DOI 10.64898/2026.09.25.754496

protein structuremachine learning (classical)

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Molecular BiologyACS Infectious DiseasesPeer-reviewedDec 13, 2018

Structural Adaptation of Darunavir Analogs Against Primary Resistance Mutations in HIV-1 Protease

G.J. Lockbaum, Florian Leidner, Linah N. Rusere…·Celia A. Schiffer

The paper investigates how structural changes in HIV-1 protease affect the potency of Darunavir and its analogs against primary resistance mutations using crystal structures and vdW interaction analysis.

37 citations

humanproteomics

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