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Publications

  • CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations
    Juan R. Perilla, Gongpu Zhao, Manman Lu, Jiying Ning, Guangjin Hou, In-Ja L. Byeon, Angela M. Gronenborn, Tatyana Polenova, Peijun Zhang
    Journal of Physical Chemistry B , 2017 , Pages: 10.1021/acs.jpcb.6b13105
  • GPU-accelerated molecular dynamics clustering analysis with openACC.
    John E. Stone, Juan R. Perilla, C. Keith Cassidy, Klaus Schulten
    In Parallel Programming with openACC, Elsevier, 2016; ISBN: 9780124103979 , 2016
  • HIV-1 Capsid Function is Regulated by Dynamics: Quantitative Atomic-Resolution Insights by Integrating Magic-Angle-Spinning NMR, QM/MM, and MD
    Huilan Zhang, Guangjin Hou, Manman Lu, Jinwoo Ahn, In-Ja L. Byeon, Christopher J. Langmead, Juan R. Perilla, Ivan Hung Peter, L. Gor’kov Zhehong, Gan William, W. Brey, David A. Case, Klaus Schulten, Angela M. Gronenborn, Tatyana Polenova
    Journal of the American Chemical Society , 2016 , 138 , Pages: 14066–14075
  • Contributions of charged residues in structurally dynamic capsid surface loops to Rous sarcoma virus assembly
    Katrina Heyrana, Boon Chong Goh, Juan R. Perilla, Tam-Linh Nguyen, Mathew England, Maria Bewley, Klaus Schulten, Rebecca Craven
    Journal of Virology , 2016 , Pages: 10.1128/JVI.00378-16
  • All-Atom Molecular Dynamics of Virus Capsids as Drug Targets
    Juan R. Perilla, Jodi A. Hadden, Boon Chong Goh, Christopher Mayne, Klaus Schulten
    Journal of Physical Chemistry Letters , 2016 , 7 , Pages: 1836–1844
  • Molecular Architecture of the Retroviral Capsid
    Juan R. Perilla, Angela M. Gronenborn
    Trends in Biochemical Sciences , 2016 , 5 , Pages: 410-420
  • Cyclophilin A stabilizes the HIV-1 capsid through a novel non-canonical binding site
    Chuang Liu*, Juan R. Perilla*, Jiying Ning, Manman Lu, Guangjin Hou, Ruben Ramalho, Benjamin A. Himes, Gongpu Zhao, Gregory J. Bedwell, In-Ja Byeon, Jinwoo Ahn, Angela M. Gronenborn, Peter E. Prevelige, Itay Rousso, Christopher Aiken, Tatyana Polenova, Klaus Schulten, Peijun Zhang
    Nature Communications , 2016 , 7 , Pages: 10714
  • Dynamic allostery governs cyclophilin A-HIV capsid interplay.
    Manman Lu, Guangjin Hou, Huilan Zhang, Christopher L. Suiter, Jinwoo Ahn, In-Ja Byeon, Juan R. Perilla, Christopher J. Langmead, Ivan Hung, Peter L. Gor'kov, Zhehong Gan, William Brey, Christopher Aiken, Peijun Zhang, Klaus Schulten, Angela M. Gronenborn, Tatyana Polenova
    Proceedings of the National Academy of Sciences USA , 2015 , 112 , Pages: 14617-14622
  • CryoEM and computer simulations reveal a novel kinase conformational switch in bacterial chemotaxis signaling
    C. Keith Cassidy, Benjamin Himes, Frances J. Alvarez, Jun Ma, Gongpu Zhao, Juan R. Perilla, Klaus Schulten, Peijun Zhang
    eLife , 2015 , Pages: 10.7554/eLife.08419
  • Atomic modeling of an immature retroviral lattice using molecular dynamics and mutagenesis
    Boon Chong Goh*, Juan R. Perilla*, Matthew R. England, Katrina J. Heyrana, Rebecca C. Craven, Klaus Schulten
    Structure , 2015 , 23 , Pages: 1414-1425
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Perilla Laboratory
Department of Chemistry & Biochemistry
University of Delaware
177 Brown Laboratory
Newark, DE 19716

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  • NMR CryoEM structural refinement

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