Publications by authors named "Elisa Pieri"

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A
Autopylot: Pragmatic Benchmarking of Excited-State Electronic Structure.
Gregory M Curtin, Madeline L Thomas, Elisa Pieri

J Chem Theory Comput· July 2025

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Conformational ensembles reveal the origins of serine protease catalysis.
Siyuan Du, Rachael C Kretsch, Jacob Parres-Gold, Elisa Pieri, Vinícius Wilian D Cruzeiro

Science· January 2025

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Biliverdin's Propionic Chains Influence Oligomerization in Sandercyanin.
Eleftherios Mainas, Gregory M Curtin, Shaena D Riddles, Elisa Pieri

J Phys Chem B· December 2024

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Conical Intersection Accessibility Dictates Brightness in Red Fluorescent Proteins.
Elisa Pieri, Alice R Walker, Mingning Zhu, Todd J Martínez

J Am Chem Soc· July 2024

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JCTC Early Career Board Selects.
Hugh G A Burton, Sijia S Dong, Soumen Ghosh, Bing Gu, Nicholas E Jackson, Elisa Pieri

J Chem Theory Comput· July 2024

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Modeling pH-Dependent Biomolecular Photochemistry.
Elisa Pieri, Oliver Weingart, Miquel Huix-Rotllant, Vincent Ledentu, Marco Garavelli

J Chem Theory Comput· January 2024

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TeraChem protocol buffers (TCPB): Accelerating QM and QM/MM simulations with a client-server model.
Vinícius Wilian D Cruzeiro, Yuanheng Wang, Elisa Pieri, Edward G Hohenstein, Todd J Martínez

J Chem Phys· January 2023

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The non-adiabatic nanoreactor: towards the automated discovery of photochemistry.
Elisa Pieri, Dean Lahana, Alexander M Chang, Cody R Aldaz, Keiran C Thompson

Chem Sci· April 2021

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Frontiers in Multiscale Modeling of Photoreceptor Proteins.
Maria-Andrea Mroginski, Suliman Adam, Gil S Amoyal, Avishai Barnoy, Ana-Nicoleta Bondar, Elisa Pieri

Photochem Photobiol· March 2021

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Voice-controlled quantum chemistry.
Umberto Raucci, Alessio Valentini, Elisa Pieri, Hayley Weir, Stefan Seritan

Nat Comput Sci· January 2021

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Relaxation Dynamics of Hydrated Thymine, Thymidine, and Thymidine Monophosphate Probed by Liquid Jet Time-Resolved Photoelectron Spectroscopy.
Blake A Erickson, Zachary N Heim, Elisa Pieri, Erica Liu, Todd J Martinez

J Phys Chem A· December 2019

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CpHMD-Then-QM/MM Identification of the Amino Acids Responsible for the Anabaena Sensory Rhodopsin pH-Dependent Electronic Absorption Spectrum.
Elisa Pieri, Vincent Ledentu, Michael Sahlin, François Dehez, Massimo Olivucci

J Chem Theory Comput· August 2019

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Media Framing and the Threat of Global Pandemics: The Ebola Crisis in UK Media and Policy Response.
Elisa Pieri

Sociol Res Online· March 2019

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Mapping the ultrafast vibrational dynamics of all-trans and 13-cis retinal isomerization in Anabaena Sensory Rhodopsin.
Partha Pratim Roy, Youshitoka Kato, Rei Abe-Yoshizumi, Elisa Pieri, Nicolas Ferré

Phys Chem Chem Phys· December 2018

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Sampling the protonation states: the pH-dependent UV absorption spectrum of a polypeptide dyad.
Elisa Pieri, Vincent Ledentu, Miquel Huix-Rotllant, Nicolas Ferré

Phys Chem Chem Phys· September 2018

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pH-Dependent absorption spectrum of a protein: a minimal electrostatic model of Anabaena sensory rhodopsin.
Michael Stenrup, Elisa Pieri, Vincent Ledentu, Nicolas Ferré

Phys Chem Chem Phys· May 2017

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Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function.
Marco Paolino, Moussa Gueye, Elisa Pieri, Madushanka Manathunga, Stefania Fusi

J Am Chem Soc· August 2016

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Directionality of Double-Bond Photoisomerization Dynamics Induced by a Single Stereogenic Center.
Gabriel Marchand, Julien Eng, Igor Schapiro, Alessio Valentini, Luis Manuel Frutos, Elisa Pieri

J Phys Chem Lett· February 2015

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Risky individuals and the politics of genetic research into aggressiveness and violence.
Elisa Pieri, Mairi Levitt

Bioethics· November 2008

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