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Origin of Magnetic Anisotropy in Nickelocene Molecular Magnet and Resilience of Its Magnetic Behavior
by
Alessio, Maristella
,
Kotaru, Saikiran
,
Giudetti, Goran
,
Krylov, Anna I.
Published in
Journal of physical chemistry. C
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Exploring the Global Reaction Coordinate for Retinal Photoisomerization: A Graph Theory-Based Machine Learning Approach
by
Giudetti, Goran
,
Mukherjee, Madhubani
,
Nandi, Samprita
,
Agrawal, Sraddha
,
Prezhdo, Oleg V.
,
Nakano, Aiichiro
Published in
Journal of chemical information and modeling
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A computational study of possible mechanisms of singlet oxygen generation in miniSOG photoactive protein
by
Giudetti, Goran
,
Blinova, Anastasia R.
,
Grigorenko, Bella L.
,
Krylov, Anna I.
Published in
Molecular physics
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Theoretical insights into the effect of size and substitution patterns of azobenzene derivatives on the DNA G-quadruplex
by
Gholamjani Moghaddam, Kiana
,
Giudetti, Goran
,
Sipma, Wouter
,
Faraji, Shirin
Published in
Physical chemistry chemical physics : PCCP
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How Reproducible Are QM/MM Simulations? Lessons from Computational Studies of the Covalent Inhibition of the SARS-CoV‑2 Main Protease by Carmofur
by
Giudetti, Goran
,
Polyakov, Igor
,
Grigorenko, Bella L.
,
Faraji, Shirin
,
Nemukhin, Alexander V.
,
Krylov, Anna I.
Published in
Journal of chemical theory and computation
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Multiscale Simulations of the Covalent Inhibition of the SARS-CoV‑2 Main Protease: Four Compounds and Three Reaction Mechanisms
by
Grigorenko, Bella L.
,
Polyakov, Igor V.
,
Khrenova, Maria G.
,
Giudetti, Goran
,
Faraji, Shirin
,
Krylov, Anna I.
,
Nemukhin, Alexander V.
Published in
Journal of the American Chemical Society
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Journal Of Chemical Information And Modeling
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Journal Of Chemical Theory And Computation
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Journal Of Physical Chemistry. C
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Journal Of The American Chemical Society
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Molecular Physics
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Physical Chemistry Chemical Physics : Pccp
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Physical Chemistry Chemical Physics/Pccp. Physical Chemistry Chemical Physics
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Biomolecular Systems
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American Chemical Society:jisc Collections:american Chemical Society Read & Publish Agreement 2022-2024 (Reading List)
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Science Citation Index Expanded (Web Of Science)
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Taylor And Francis:jisc Collections:taylor And Francis Read And Publish Agreement 2024-2025:Science And Technology Collection (Reading List)
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Acs Crkn Legacy Archives
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