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Jayashree Nagesh

Fast Numerical Evaluation of Time-Derivative Nonadiabatic Couplings for Mixed Quantum–Classical Methods
2015 · Ilya G. Ryabinkin, Jayashree Nagesh, et al. · The Journal of Physical Chemistry Letters · 109
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Promiscuous binding by Hsp70 results in conformational heterogeneity and fuzzy chaperone-substrate ensembles
2017 · Rina Rosenzweig, Ashok Sekhar, et al. · eLife · 94
High resolution ensemble description of metamorphic and intrinsically disordered proteins using an efficient hybrid parallel tempering scheme
2021 · Rajeswari Appadurai, Jayashree Nagesh, et al. · Nature Communications · 86
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Effects of maturation on the conformational free-energy landscape of SOD1
2018 · Robert M. Culik, Ashok Sekhar, et al. · Proceedings of the National Academy of Sciences · 67
Increasing protein stability by engineering the n → π* interaction at the β-turn
2020 · Bhavesh Khatri, Puja Majumder, et al. · Chemical Science · 46
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New Insights into the State Trapping of UV-Excited Thymine
2016 · Ljiljana Stojanovic, Shuming Bai, et al. · Molecules · 44
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Parallel triplet formation pathways in a singlet fission material
2022 · Nilabja Maity, Woojae Kim, et al. · Nature Communications · 36
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Deuterium isotope effect in fluorescence of gaseous oxazine dyes
2019 · Matthew Kusinski, Jayashree Nagesh, et al. · Physical Chemistry Chemical Physics · 33
Conformational heterogeneity in the Hsp70 chaperone‐substrate ensemble identified from analysis of NMR‐detected titration data
2017 · Ashok Sekhar, Jayashree Nagesh, et al. · Protein Science · 24
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Vibrational dynamics around the conical intersection: a study of methoxy vibrations on the X2E surface
2010 · Jayashree Nagesh, Edwin L. Sibert · Physical Chemistry Chemical Physics · 19
Infrared Spectra at a Conical Intersection: Vibrations of Methoxy
2012 · Jayashree Nagesh, Edwin L. Sibert · The Journal of Physical Chemistry A · 16
Simulation of laser excitation spectrum of CH3O and CD3O
2013 · Jayashree Nagesh, Edwin L. Sibert, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 12
Sequence dependent folding motifs of the secondary structures of Gly-Pro and Pro-Gly containing oligopeptides
2022 · Satish Kumar, Kshetrimayum Borish, et al. · Physical Chemistry Chemical Physics · 10
Origin of Luminescence‐Based Detection of Metal Ions by Mn–Doped ZnS Quantum Dots
2019 · Trupthi Devaiah Chonamada, Bhagwati Sharma, et al. · ChemistrySelect · 8
Double Domain Swapping in Human γC and γD Crystallin Drives Early Stages of Aggregation
2021 · Balaka Mondal, Jayashree Nagesh, et al. · The Journal of Physical Chemistry B · 4
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Cross-Talk between Overlap Interactions in Biomolecules: A Case Study of the β-Turn Motif
2021 · Jayashree Nagesh · Molecules · 2
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An efficient implementation of the localized operator partitioning method for electronic energy transfer
2015 · Jayashree Nagesh, Artur F. Izmaylov, et al. · The Journal of Chemical Physics · 2
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Nonadiabatic Couplings Facilitate Excitation Wavelength–Dependent Fluorescence in a Cyclooctatetraene-Based Polymorph
2024 · P. E. Swathi Krishna, Vivek V. Dev, et al. · The Journal of Physical Chemistry C · 1
Membrane Catalyzed Formation of Nucleotide Clusters and Their Role in the Origins of Life: Insights from Molecular Simulations and Lattice Modeling
2024 · Rajlaxmi Saha, Prathyush Poduval, et al. · The Journal of Physical Chemistry B · 1
Author response: Promiscuous binding by Hsp70 results in conformational heterogeneity and fuzzy chaperone-substrate ensembles
2017 · Rina Rosenzweig, Ashok Sekhar, et al. · 1
Phosphoinositides protonation states dictate AKT1 binding with membrane
2026 · Kirtika Jha, Meghadeepa Sarkar, et al. · bioRxiv (Cold Spring Harbor Laboratory)
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Simulation and Deconvolution of UV-vis Protein Charge Transfer Spectra
2026 · Arijit Maity, Prithwish Ghosh, et al. · ChemRxiv
Harnessing Bridge Resonance to Optimise Multiexciton Dynamics through Intramolecular Singlet Fission in Pentacene Dimers
2026 · Kanad Majumder, Soham Mukherjee, et al. · ChemRxiv
Computers in Organic Chemistry
2023 · Jayashree Nagesh · Resonance
Synthesis and characterization of J and H aggregate-forming carbazole-based diketopyrrolopyrrole materials
2023 · Aritrajit Gupta, Ashish Sarkalya, et al. · ChemRxiv
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Works count: 39
Citation count: 615
H-index: 12
I10-index: 13
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