Author

Alexander D. MacKerell

University of Maryland, BaltimoreORCID 0000-0001-8287-6804Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Biophysics· 2 Microbiology· 1

Signature Assays, Organisms & Methods

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Research Focus:drug response / drug discovery· 3 Approach:statistical model· 3 Approach:deep learning· 2 Organism:human· 2 Assay:proteomics· 2 Assay:bulk RNA-seq· 1 Research Focus:differential expression· 1 Assay:DNA methylation· 1

Frequent Co-Authors

Alison J. ScottiD· 1 shared Anne M. BrowniD· 1 shared David WangiD· 1 shared Ensley Jang· 1 shared Gaurav Kumar· 1 shared Haley M. MicheliD· 1 shared Igor V. VorobyoviD· 1 shared Justin A. LemkuliD· 1 shared

Activity by Year

2025-2026 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 14 mutual co-author links

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1 shared paperMicrobiology

Alison J. ScottORCID

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3 papers

Recent·Most cited

BiophysicsNucleic Acids ResearchPeer-reviewedSep 4, 2026

Drude SILCS-Nucleic: Harnessing Explicit Electronic Polarization in Targeting RNA and DNA for Drug Design

Haley M. Michel, Anne M. Brown, Alexander D. MacKerell, Justin A. Lemkul

This paper extends the SILCS method with the Drude polarizable force field to improve ligand-nucleic acid interaction modeling and drug design.

1 citation

DNA methylationproteomics

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BiophysicsbioRxivPreprintSep 25, 2025

Prediction of TdP Arrhythmia Risk Through Molecular Simulations of Conformation-specific Drug Interactions with the hERG K+, NaV1.5, and CaV1.2 Channels

Kyle C. Rouen, Kush Narang, Yanxiao Han…·Igor V. Vorobyov

1 citation

humanstructural biology

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MicrobiologyJournal of VirologyPeer-reviewedSep 10, 2025

The mammalian SKI complex is a broad-spectrum antiviral drug target that upregulates cellular cholesterol to inhibit viral replication

Stuart M. Weston, Lauren Baracco, Louis J. Taylor…·Matthew B. Frieman

This paper identifies the SKI complex as a broad-spectrum antiviral target, showing that UMB18 increases cellular cholesterol via the mevalonate pathway to inhibit viral replication.

1 citation

humanbulk RNA-seq

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