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Author

Daniel Beckett

Observed name: Beckett, Daniel
ORCID: 0000-0003-4833-2269
Observed ORCID: 0000-0003-4833-2269
OpenAlex ID: A5067321347
Vibrational Circular Dichroism Spectra for Large Molecules through Molecules-in-Molecules Fragment-Based Approach
2015 · K. V. Jovan Jose, Daniel Beckett, et al. · Journal of Chemical Theory and Computation · 45
Theoretical Study of Protein–Ligand Interactions Using the Molecules-in-Molecules Fragmentation-Based Method
2018 · Bishnu Thapa, Daniel Beckett, et al. · Journal of Chemical Theory and Computation · 44
Assessment of Fragmentation Strategies for Large Proteins Using the Multilayer Molecules-in-Molecules Approach
2018 · Bishnu Thapa, Daniel Beckett, et al. · Journal of Chemical Theory and Computation · 37
Unveiling the catalytic mechanism of GTP hydrolysis in microtubules
2023 · Daniel Beckett, Gregory A. Voth · Proceedings of the National Academy of Sciences · 28
Aromatic Fragmentation Based on a Ring Overlap Scheme: An Algorithm for Large Polycyclic Aromatic Hydrocarbons Using the Molecules-in-Molecules Fragmentation-Based Method
2020 · Benjamin W. Noffke, Daniel Beckett, et al. · Journal of Chemical Theory and Computation · 11
Electronic Energies Are Not Enough: An Ion Mobility-Aided, Quantum Chemical Benchmark Analysis of H+GPGG Conformers
2018 · Daniel Beckett, Tarick J. El-Baba, et al. · Journal of Chemical Theory and Computation · 9
Coupling Constants, High Spin, and Broken Symmetry States of Organic Radicals: an Assessment of the Molecules-in-Molecules Fragmentation-Based Method
2019 · Tumpa Sadhukhan, Daniel Beckett, et al. · Journal of Chemical Theory and Computation · 7
Data-driven equation-free dynamics applied to many-protein complexes: The microtubule tip relaxation
2025 · Jiangbo Wu, Siva Dasetty, et al. · Biophysical Journal · 6
Charge redistribution in QM:QM ONIOM model systems: a constrained density functional theory approach
2017 · Daniel Beckett, Aliaksandr Krukau, et al. · Molecular Physics · 4
Tautomerization of H+KPGG: Entropic Consequences of Strong Hydrogen-Bond Networks in Peptides
2023 · Daniel Beckett, Tarick J. El-Baba, et al. · The Journal of Physical Chemistry A · 3
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Adaptations in Plasmodium tubulin determine distinct microtubule architectures, mechanics and drug susceptibility
2026 · Mamata Bangera, Jiangbo Wu, et al. · Nature Communications · 2
Untangling Hydrogen Bond Networks with Ion Mobility Spectrometry and Quantum Chemical Calculations: A Case Study on H+XPGG
2019 · Daniel Beckett, Tarick J. El-Baba, et al. · The Journal of Physical Chemistry B · 2
Hidden complexities in the reaction of H 2 O 2 and HNO revealed by ab initio quantum chemical investigations
2017 · Daniel Beckett, Marc Edelmann, et al. · Physical Chemistry Chemical Physics · 2
On the curvature and relaxation of microtubule plus-end tips
2025 · Tomasz Skóra, Jiangbo Wu, et al. · Biophysical Journal · 1
Adaptations in Plasmodium tubulin determine unique microtubule architectures, mechanics and drug susceptibility
2025 · Mamata Bangera, Jiangbo Wu, et al. · bioRxiv (Cold Spring Harbor Laboratory)
Bottom-up coarse-grained model of microtubule dynamics: A bridge between length- and timescales
2024 · Tomasz Skóra, Daniel Beckett, et al. · Biophysical Journal
Charge redistribution in QM:QM ONIOM model systems: a constrained density functional theory approach
2017 · Beckett, Daniel, Krukau, Aliaksandr, et al. · Figshare
Works count: 17
Citation count: 201
H-index: 7
I10-index: 5
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