Author

Craig A. Peeples

University of Maryland, BaltimoreORCID 0000-0001-6111-6857Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Biochemistry· 1 Bioinformatics· 1 Biophysics· 1

Signature Assays, Organisms & Methods

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Approach:mechanistic / dynamical model· 2 Approach:statistical model· 2 Research Focus:chromatin & epigenetic regulation· 1 Organism:human· 1 Assay:multiome· 1 Research Focus:protein folding & dynamics· 1 Assay:protein structure· 1

Frequent Co-Authors

Jana SheniD· 2 shared Heeral Patel· 1 shared Juan R. PerillaiD· 1 shared Juan S. ReyiD· 1 shared Reidun TwarockiD· 1 shared Ruibin LiuiD· 1 shared Shuhua MaiD· 1 shared Wenhan LiiD· 1 shared

Activity by Year

2024-2026 · peak 2/yr

Co-Author Collaboration Network

8 top collaborators · 10 mutual co-author links

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2 shared papersBiophysics

Jana ShenORCID

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3 papers

Recent·Most cited

BioinformaticsNature CommunicationsPeer-reviewedJun 15, 2026

A geometric criterion links HIV-1 capsid topography to its biophysical properties and function

Wenhan Li, Craig A. Peeples, Juan S. Rey…·Reidun Twarock

The paper introduces a geometric criterion to quantify deviations in HIV-1 capsid structure from idealized models and links these deviations to biophysical properties and function.

DOI 10.1038/s41467-026-74109-6

statistical model

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BiophysicsThe Journal of Physical Chemistry BPeer-reviewedNov 12, 2024

Force Field Limitations of All-Atom Continuous Constant pH Molecular Dynamics

Craig A. Peeples, Ruibin Liu, Jana Shen

This study evaluates force field limitations in constant pH molecular dynamics simulations of a mini-protein, showing significant pKa errors due to force field and water model choices.

16 citations

multiomeprotein structure

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BiochemistryJournal of Chemical Theory and ComputationPeer-reviewedJun 15, 2024

QM/MM simulations of EFGR with afatinib reveal the role of the beta-dimethylaminomethyl substitution

Shuhua Ma, Heeral Patel, Craig A. Peeples, Jana Shen

The paper uses QM/MM simulations to study the reaction mechanism of afatinib with Cys797 in EGFR, revealing a Michael addition mechanism involving deprotonation and stabilization by Asp800.

12 citations

humanmechanistic / dynamical model

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