Publications

Physical properties of the HIV-1 capsid from all-atom molecular dynamics simulations

Juan R. Perilla, Klaus Schulten

Nature Communications , 2017
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

Perilla Laboratory
Department of Chemistry & Biochemistry
University of Delaware
177 Brown Laboratory
Newark, DE 19716

HIGHLIGHTS

UPCOMING EVENTS

GALLERY

Copyright 2017 – Perilla Lab – Department of Chemistry and Biochemistry, University of Delaware

Perilla Laboratory Department of Chemistry & Biochemistry University of Delaware 177 Brown Laboratory Newark, DE 19716

HIGHLIGHTS

UPCOMING EVENTS

GALLERY

Copyright 2017 – Perilla Lab – Department of Chemistry and Biochemistry, University of Delaware

Perilla Laboratory
Department of Chemistry & Biochemistry
University of Delaware
177 Brown Laboratory
Newark, DE 19716