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61
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65
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Author
Barigye, S.J.
(2)
Marrero-Ponce, Y.
(2)
Aguilera-Mendoza, L.
(1)
Artiles Martínez, L.M.
(1)
Calzado, C.J.
(1)
Cruz-Monteagudo, M.
(1)
Infante, L.V.
(1)
Javier Torres, F.
(1)
Liu, J.
(1)
Llorente-Quesada, M.T.
(1)
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Chemistry
(4)
Algorithm
(2)
Algorithms
(2)
17O-RMN
(1)
Activation entropy
(1)
Alkylation
(1)
Antimicrobial cationic peptide
(1)
Antimicrobial cationic peptides
(1)
CASSCF/CASPT2 calculations
(1)
Chemical binding
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2019
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930
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Document Type:
Artículo
Language:
Inglés
Subject:
Chemistry
Year:
2019
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Title:
Physico-Chemical and structural interpretation of discrete derivative indices on N-tuples atoms
Author:
Martínez-Santiago, O.
/
Marrero-Ponce, Y.
/
Barigye, S.J.
/
Thu, H.L.T.
/
Javier Torres, F.
/
Zambrano, C.H.
/
Muñiz Olite, J.L.
/
Cruz-Monteagudo, M.
/
Vivas-Reyes, R.
/
Infante, L.V.
/
Artiles Martínez, L.M.
Language:
Inglés
Repository:
61
Subject:
17O-RMN
/
Activation entropy
/
Derivative indices
/
Discrete derivative
/
Free valence
/
GDIs
/
Reactivity
/
Resonance energy
/
Structural interpretation
/
Chemical binding
/
Conjugation
/
Entropy
/
Proton nuclear magnetic resonance
/
Quantitative study
/
Theoretical model
/
Writing
/
Algorithm
/
Chemistry
/
Computer graphics
/
Drug design
/
Drug
/
Algorithms
/
Pharmaceutical Preparations
Title:
Overlap and diversity in antimicrobial peptide databases: Compiling a non-redundant set of sequences
Author:
Aguilera-Mendoza, L.
/
Marrero-Ponce, Y.
/
Tellez-Ibarra, R.
/
Llorente-Quesada, M.T.
/
Salgado, J.
/
Barigye, S.J.
/
Liu, J.
Language:
Inglés
Repository:
61
Subject:
Antimicrobial cationic peptide
/
Algorithm
/
Chemistry
/
Human
/
Nucleic acid database
/
Procedures
/
Protein database
/
Sequence analysis
/
Software
/
Algorithms
/
Antimicrobial cationic peptides
/
Databases, Nucleic Acid
/
Databases, Protein
/
Humans
/
Sequence Analysis, Protein
Title:
Light-induced control of the spin distribution on Cu–dithiolene complexes: A correlated ab initio study
Author:
Zapata-Rivera, J.
/
Calzado, C.J.
Language:
Inglés
Repository:
61
Subject:
CASSCF/CASPT2 calculations
/
Dmit radicals
/
Magnetism
/
Spin control
/
UV–Vis spectrum
/
Chemistry
/
Electron spin resonance
/
Light
/
Magnet
/
Quantum theory
/
Electron Spin Resonance Spectroscopy
/
Magnetics
/
Magnets
Title:
Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants
Language:
Inglés
Repository:
65
Subject:
Cysteine
/
Mutant protein
/
Thioredoxin
/
Alkylation
/
Chemistry
/
Escherichia coli
/
Genetics
/
Metabolism
/
Molecular dynamics
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