List of works - Juan R Perilla

Accelerating prediction of chemical shift of protein structures on GPUs: Using OpenACC

scientific article published on 13 May 2020

All-atom molecular dynamics of the HBV capsid reveals insights into biological function and cryo-EM resolution limits

scientific article published on 27 April 2018

Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR

scientific article published on 08 September 2020

Computing ensembles of transitions from stable states: Dynamic importance sampling.

scientific article published in January 2011

Computing ensembles of transitions with molecular dynamics simulations.

scientific article published in January 2015

CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations.

scientific article

CryoEM structure of MxB reveals a novel oligomerization interface critical for HIV restriction.

scientific article published on 15 September 2017

Dynamic allostery governs cyclophilin A-HIV capsid interplay

scientific article

Dynamic regulation of HIV-1 capsid interaction with the restriction factor TRIM5α identified by magic-angle spinning NMR and molecular dynamics simulations

article published in the Proceedings of the National Academy of Sciences of the United States of America

Full scale structural, mechanical and dynamical properties of HIV-1 liposomes

scientific article published on 18 January 2022

High-Performance Analysis of Biomolecular Containers to Measure Small-Molecule Transport, Transbilayer Lipid Diffusion, and Protein Cavities

scientific article published on 03 October 2019

Ictal propagation of high frequency activity is recapitulated in interictal recordings: effective connectivity of epileptogenic networks recorded with intracranial EEG.

scientific article

Magic angle spinning NMR structure of human cofilin-2 assembled on actin filaments reveals isoform-specific conformation and binding mode

scientific article published on 19 April 2022

Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics

scientific article

Molecular determinants of Ebola nucleocapsid stability from molecular dynamics simulations

scientific article published on 01 October 2020

Molecular dynamics simulations of large macromolecular complexes.

scientific article published on 4 April 2015

Molecular dynamics simulations of transitions for ECD epidermal growth factor receptors show key differences between human and drosophila forms of the receptors.

scientific article published on 10 April 2013

Permeability of the HIV-1 capsid to metabolites modulates viral DNA synthesis

scientific article published on 17 December 2020

Quenching protein dynamics interferes with HIV capsid maturation.

scientific article published on 24 November 2017

Structural basis for the homotypic fusion of chlamydial inclusions by the SNARE-like protein IncA.

scientific article published on 21 June 2019

Structures of immature EIAV Gag lattices reveal a conserved role for IP6 in lentivirus assembly

scientific article published on 27 January 2020

Towards the prediction of order parameters from molecular dynamics simulations in proteins ⬇️

scientific article published on April 28, 2012

Zipping and unzipping of adenylate kinase: atomistic insights into the ensemble of open<-->closed transitions.

scientific article

List of works by Juan R Perilla

Accelerating prediction of chemical shift of protein structures on GPUs: Using OpenACC

All-atom molecular dynamics of the HBV capsid reveals insights into biological function and cryo-EM resolution limits

Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR

Computing ensembles of transitions from stable states: Dynamic importance sampling.

Computing ensembles of transitions with molecular dynamics simulations.

CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations.

CryoEM structure of MxB reveals a novel oligomerization interface critical for HIV restriction.

Dynamic allostery governs cyclophilin A-HIV capsid interplay

Dynamic regulation of HIV-1 capsid interaction with the restriction factor TRIM5α identified by magic-angle spinning NMR and molecular dynamics simulations

Full scale structural, mechanical and dynamical properties of HIV-1 liposomes

High-Performance Analysis of Biomolecular Containers to Measure Small-Molecule Transport, Transbilayer Lipid Diffusion, and Protein Cavities

Ictal propagation of high frequency activity is recapitulated in interictal recordings: effective connectivity of epileptogenic networks recorded with intracranial EEG.

Magic angle spinning NMR structure of human cofilin-2 assembled on actin filaments reveals isoform-specific conformation and binding mode

Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics

Molecular determinants of Ebola nucleocapsid stability from molecular dynamics simulations

Molecular dynamics simulations of large macromolecular complexes.

Molecular dynamics simulations of transitions for ECD epidermal growth factor receptors show key differences between human and drosophila forms of the receptors.

Permeability of the HIV-1 capsid to metabolites modulates viral DNA synthesis

Quenching protein dynamics interferes with HIV capsid maturation.

Structural basis for the homotypic fusion of chlamydial inclusions by the SNARE-like protein IncA.

Structures of immature EIAV Gag lattices reveal a conserved role for IP6 in lentivirus assembly

Towards the prediction of order parameters from molecular dynamics simulations in proteins ⬇️

Zipping and unzipping of adenylate kinase: atomistic insights into the ensemble of open<-->closed transitions.