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- 1.0578423 - ÚFCH JH 2025 RIV GB eng J - Journal Article
Das, D. - Bharadwaz, Priyam - Mattaparthi, V. S. K.
Computational investigation on the effect of the peptidomimetic inhibitors (NPT100-18A and NPT200-11) on the α-synuclein and lipid membrane interactions.
Journal of Biomolecular Structure & Dynamics. (2023). ISSN 0739-1102
Institutional support: RVO:61388955
Keywords : molecular-dynamics simulations * lewy body disease * parkinsons-disease * force-field * basis-sets * system * oligomerization * accumulation * mutations * mechanism * alpha-Synuclein aggregation * membrane dynamics * dft * npt100-18a * npt200-11
OECD category: Physical chemistry
Impact factor: 4.4, year: 2022
Method of publishing: Limited access
https://www.tandfonline.com/doi/abs/10.1080/07391102.2023.2262599
Permanent Link: https://hdl.handle.net/11104/0347420 - 2.0570970 - ÚFCH JH 2024 RIV US eng J - Journal Article
Bharadwaz, Priyam - Maldonado-Domínguez, Mauricio - Chalupský, Jakub - Srnec, Martin
Reactivity Factors in Catalytic Methanogenesis and Their Tuning upon Coenzyme F430 Biosynthesis.
Journal of the American Chemical Society. Roč. 145, č. 16 (2023), s. 9039-9051. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR(CZ) GA21-10383S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388955
Keywords : EFFECTIVE CORE POTENTIALS * ANAEROBIC OXIDATION * METHANE FORMATION
OECD category: Physical chemistry
Impact factor: 15, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0342300File Download Size Commentary Version Access 0570970.pdf 0 6.2 MB open access Publisher’s postprint open-access - 3.0545403 - ÚFCH JH 2022 RIV GB eng J - Journal Article
Bharadwaz, Priyam - Maldonado-Domínguez, Mauricio - Srnec, Martin
Bifurcating reactions: distribution of products from energy distribution in a shared reactive mode.
Chemical Science. Roč. 12, č. 38 (2021), s. 12682-12694. ISSN 2041-6520. E-ISSN 2041-6539
R&D Projects: GA ČR(CZ) GA21-10383S
Grant - others:Ministerstvo školství, mládeže a tělovýchovy - GA MŠk(CZ) LM2018140
Institutional support: RVO:61388955
Keywords : initio molecular-dynamics * possible path bifurcation * diels-alder * transition-state * nonstatistical dynamics * pericyclic-reactions * 4+2 cycloadditions * basis-sets * mechanism * selectivity
OECD category: Physical chemistry
Impact factor: 9.969, year: 2021
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0322099File Download Size Commentary Version Access 0545403.pdf 1 2.3 MB open access Publisher’s postprint open-access