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/vufind/Search/Results?lookfor=%22Marti%2C+Sergio%22&type=Person&sort=year
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PubPharm (111)
1
Peptidyl Nitroalkene Inhibitors of Main Protease (Mpro) rationalized by Computational/Crystallographic Investigations as Antivirals against SARS-CoV-2
enthalten in:
ResearchSquare.com
| 2024
von
Medrano, F.
|
Hoz-Rodríguez, S.
|
Martí, S.
| +12
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2
Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2
enthalten in:
Communications chemistry
| 2024
von
Medrano, F.
|
de la Hoz-Rodríguez, S.
|
Martí, S.
| +15
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3
Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents
enthalten in:
Journal of chemical information and modeling
| 2023
von
Arafet, K.
|
Scalvini, L.
|
Galvani, F.
| +4
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4
Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer's Disease
enthalten in:
Journal of chemical information and modeling
| 2023
von
Movilla, S.
|
Martí, S.
|
Roca, M.
| +1
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5
Impact of warhead modulations on the covalent inhibition of SARS-CoV-2 Mpro explored by QM/MM simulations
enthalten in:
chemRxiv.org
| 2022
von
Marti, S.
|
Arafet, K.
|
Lodola, A.
| +3
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6
Impact of warhead modulations on the covalent inhibition of SARS-CoV-2 Mpro explored by QM/MM simulations
enthalten in:
chemRxiv.org
| 2022
von
Marti, S.
|
Arafet, K.
|
Lodola, A.
| +3
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7
Impact of Warhead Modulations on the Covalent Inhibition of SARS-CoV-2 Mpro Explored by QM/MM Simulations
enthalten in:
ACS catalysis
| 2022
von
Martí, S.
|
Arafet, K.
|
Lodola, A.
| +3
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8
Assessment of the PETase conformational changes induced by poly(ethylene terephthalate) binding
enthalten in:
Proteins
| 2021
von
da Costa, C.
|
Dos Santos, A.
|
Alves, C.
| +4
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9
Unrevealing the Proteolytic Activity of RgpB Gingipain from Computational Simulations
enthalten in:
Journal of chemical information and modeling
| 2021
von
Movilla, S.
|
Martí, S.
|
Roca, M.
| +1
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10
A QM/MM study on the origin of retro-aldolase activity of a catalytic antibody
enthalten in:
Chemical communications (Cambridge, England)
| 2021
von
De Raffele, D.
|
Martí, S.
|
Moliner, V.
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Journal of the American Chemical Society
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Thema
57
Journal Article
49
Research Support, Non-U.S. Gov't
9
QM/MM
7
Chorismate Mutase
7
EC 5.4.99.5
5
EC 2.1.1.45
5
Reaction mechanism
5
Solutions
5
Thymidylate Synthase
4
Antibodies, Catalytic
4
EC 3.2.1.50
4
EC 3.2.1.52
4
Enzymes
4
Isotopes
4
Research Support, N.I.H., Extramural
4
beta-N-Acetylhexosaminidases
4
hexosaminidase C
3
132489-69-1
3
Acetylglucosamine
3
Aromatase
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Erscheinungszeitraum
13
2020-
49
2010-2019
47
2000-2009
Erscheinungsjahr(e)
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Sprache
73
Englisch
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