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/vufind/Search/Results?lookfor=%22Ramalho%2C+Teodorico+C%22&type=Person&sort=year
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PubPharm (311)
1
Pnictogen bond-driven control of the molecular interaction between organophosphorus and acetylcholinesterase enzyme
enthalten in:
Journal of computational chemistry
| 2024
von
Andolpho, G.
|
Ramalho, T.
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2
Enhanced Sampling in Molecular Dynamics Simulations : How Many MD Snapshots can be Needed to Reproduce the Biological Behavior?
enthalten in:
Mini reviews in medicinal chemistry
| 2024
von
Tavares, C.
|
Santos, T.
|
Gonçalves, M.
| +2
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3
Combining computational tools and experimental studies towards endocrine disruptors mitigation : A review of biocatalytic and adsorptive processes
enthalten in:
Chemosphere
| 2023
von
Silva, M.
|
de Castro, A.
|
Lopes, K.
| +3
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4
A theoretical protocol for the rational design of the bioinspired multifunctional hybrid material MIP@cercosporin
enthalten in:
Journal of molecular modeling
| 2023
von
Sales, T.
|
Ferreira, L.
|
Nogueira, A.
| +1
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5
A theoretical protocol for the rational design of the bioinspired multifunctional hybrid material MIPcercosporin
enthalten in:
Journal of molecular modeling
| 2023
von
Sales, T.
|
Ferreira, L.
|
Nogueira, A.
| +1
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6
A theoretical protocol for the rational design of the bioinspired multifunctional hybrid material MIPcercosporin
enthalten in:
Journal of molecular modeling
| 2023
von
Sales, T.
|
Ferreira, L.
|
Nogueira, A.
| +1
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7
Vanadium complex as a potential modulator of the autophagic mechanism through proteins PI3K and ULK1 : development, validation and biological implications of a specific force field for [VO(bpy)2Cl
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Santos, T.
|
Tavares, C.
|
da Cunha, E.
| +1
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8
Parameterization and validation of a new AMBER force field for an oxovanadium (IV) complex with therapeutic potential implications in Alzheimer's disease
enthalten in:
Journal of molecular graphics & modelling
| 2023
von
Tavares, C.
|
Santos, T.
|
da Cunha, E.
| +1
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9
Silver(I) and Copper(II) 1,10-Phenanthroline-5,6-dione Complexes as Promising Antivirulence Strategy against Leishmania : Focus on Gp63 (Leishmanolysin)
enthalten in:
Tropical medicine and infectious disease
| 2023
von
Oliveira, S.
|
Correia, C.
|
Santos, V.
| +7
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10
Exploring electronic, structural and dynamics parameters of phenylbenzothiazole complexes with Mn2+, Cu2+ and Zn2+ for designing new magnetic resonance imaging (MRI) probes : congruence between computation and spectroscopic data
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Rosa, I.
|
Gonçalves, M.
|
Krambrock, K.
| +4
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Journal of biomolecular structure & dynamics
27
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12
European journal of medicinal chemistry
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The journal of physical chemistry. A
9
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Spectrochimica acta. Part A, Molecular and biom...
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135
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67
Research Support, Non-U.S. Gov't
17
DFT
15
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14
Acetylcholinesterase
14
EC 3.1.1.7
13
Oximes
12
Cholinesterase Inhibitors
11
Molecular dynamics
11
Organophosphorus Compounds
10
Cholinesterase Reactivators
9
Docking
9
acetylcholinesterase
8
Enzyme Inhibitors
8
Iron oxide
8
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8
QM/MM
7
B4XG72QGFM
7
Coordination Complexes
7
Organophosphates
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