Publications by authors named "Jayashree Nagesh"

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Membrane Catalyzed Formation of Nucleotide Clusters and Their Role in the Origins of Life: Insights from Molecular Simulations and Lattice Modeling.
Rajlaxmi Saha, Prathyush Poduval, Krishnakanth Baratam, Jayashree Nagesh, Anand Srivastava

J Phys Chem B· April 2024

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Parallel triplet formation pathways in a singlet fission material.
Nilabja Maity, Woojae Kim, Naitik A Panjwani, Arup Kundu, Kanad Majumder, Jayashree Nagesh

Nat Commun· September 2022

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Sequence dependent folding motifs of the secondary structures of Gly-Pro and Pro-Gly containing oligopeptides.
Satish Kumar, Kshetrimayum Borish, Sanjit Dey, Jayashree Nagesh, Aloke Das

Phys Chem Chem Phys· August 2022

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Cross-Talk between Overlap Interactions in Biomolecules: A Case Study of the -Turn Motif.
Jayashree Nagesh

Molecules· March 2021

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Double Domain Swapping in Human γC and γD Crystallin Drives Early Stages of Aggregation.
Balaka Mondal, Jayashree Nagesh, Govardhan Reddy

J Phys Chem B· February 2021

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High resolution ensemble description of metamorphic and intrinsically disordered proteins using an efficient hybrid parallel tempering scheme.
Rajeswari Appadurai, Jayashree Nagesh, Anand Srivastava

Nat Commun· February 2021

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Increasing protein stability by engineering the n → π* interaction at the β-turn.
Bhavesh Khatri, Puja Majumder, Jayashree Nagesh, Aravind Penmatsa, Jayanta Chatterjee

Chem Sci· July 2020

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Deuterium isotope effect in fluorescence of gaseous oxazine dyes.
Matthew Kusinski, Jayashree Nagesh, Margarita Gladkikh, Artur F Izmaylov, Rebecca A Jockusch

Phys Chem Chem Phys· March 2019

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Effects of maturation on the conformational free-energy landscape of SOD1.
Robert M Culik, Ashok Sekhar, Jayashree Nagesh, Harmeen Deol, Jessica A O Rumfeldt

Proc Natl Acad Sci U S A· March 2018

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Conformational heterogeneity in the Hsp70 chaperone-substrate ensemble identified from analysis of NMR-detected titration data.
Ashok Sekhar, Jayashree Nagesh, Rina Rosenzweig, Lewis E Kay

Protein Sci· November 2017

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Promiscuous binding by Hsp70 results in conformational heterogeneity and fuzzy chaperone-substrate ensembles.
Rina Rosenzweig, Ashok Sekhar, Jayashree Nagesh, Lewis E Kay

Elife· July 2017

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Localized operator partitioning method for electronic excitation energies in the time-dependent density functional formalism.
Jayashree Nagesh, Michael J Frisch, Paul Brumer, Artur F Izmaylov

J Chem Phys· December 2016

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New Insights into the State Trapping of UV-Excited Thymine.
Ljiljana Stojanović, Shuming Bai, Jayashree Nagesh, Artur F Izmaylov, Rachel Crespo-Otero

Molecules· November 2016

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Fast Numerical Evaluation of Time-Derivative Nonadiabatic Couplings for Mixed Quantum-Classical Methods.
Ilya G Ryabinkin, Jayashree Nagesh, Artur F Izmaylov

J Phys Chem Lett· November 2015

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An efficient implementation of the localized operator partitioning method for electronic energy transfer.
Jayashree Nagesh, Artur F Izmaylov, Paul Brumer

J Chem Phys· February 2015

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Simulation of Ã(2)A(1)←X̃(2)E laser excitation spectrum of CH3O and CD3O.
Jayashree Nagesh, Edwin L Sibert, John F Stanton

Spectrochim Acta A Mol Biomol Spectrosc· February 2014

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Infrared spectra at a conical intersection: vibrations of methoxy.
Jayashree Nagesh, Edwin L Sibert

J Phys Chem A· April 2012

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Vibrational dynamics around the conical intersection: a study of methoxy vibrations on the X(2)E surface.
Jayashree Nagesh, Edwin L Sibert

Phys Chem Chem Phys· August 2010

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