C. Gómez-Castro

发表

A new computational model for the prediction of toxicity of phosphonate derivatives using QSPR

Julián Cruz-Borbolla, Rosa L. Camacho-Mendoza, E. Aquino-Torres, 2018, Molecular Diversity.

Profiling the interaction of 1‐phenylbenzimidazoles to cyclooxygenases

J. Trujillo-Ferrara, J. Hernández-Pineda, C. Gómez-Castro, 2019, Journal of molecular recognition : JMR.

Exploration of human serum albumin binding sites by docking and molecular dynamics flexible ligand-protein interactions.

M. Rosales-Hernández, J. Correa-Basurto, O. Deeb, 2010, Biopolymers.

First Principles Computational Biochemistry with deMon2k

D. Salahub, P. Calaminici, A. Vela, 2015 .

Advances in Our Understanding of the Interaction of Drugs with T-cells: Implications for the Discovery of Biomarkers in Severe Cutaneous Drug Reactions.

D. Naisbitt, M. Moreno-Eutimio, C. Gómez-Castro, 2022, Chemical research in toxicology.

A new computational model for the prediction of toxicity of phosphonate derivatives using QSPR

Julián Cruz-Borbolla, Rosa L. Camacho-Mendoza, E. Aquino-Torres, 2018, Molecular Diversity.

Solid State Structure and Solution Thermodynamics of Three-Centered Hydrogen Bonds (O∙∙∙H∙∙∙O) Using N-(2-Benzoyl-phenyl) Oxalyl Derivatives as Model Compounds

C. Gómez-Castro, I. Padilla-Martínez, E. García-Báez, 2014, Molecules.

Theoretical study: Electronic structure and receptor interaction of four type bis-1,4-dihydropyridine molecules

Julián Cruz-Borbolla, J. Vásquez-Pérez, C. Gómez-Castro, 2018 .

Insights into the oxygen-based ligand of the low pH component of the Cu(2+)-amyloid-β complex.

A. Vela, A. Goursot, C. Gómez-Castro, 2014, The journal of physical chemistry. B.

Hydrogen bonding effects on the association processes between chloranil and a series of amides

F. González, C. Gómez-Castro, I. Padilla-Martínez, 2004 .

QSTR Modeling to Find Relevant DFT Descriptors Related to the Toxicity of Carbamates

Julián Cruz-Borbolla, Rosa L. Camacho-Mendoza, J. Alvarado-Rodríguez, 2022, Molecules.

Copper coordination to the prion protein: Insights from theoretical studies

Lina Rivillas-Acevedo, A. Vela, C. Gómez-Castro, 2013 .

Spectroscopic studies and molecular modelling of the aflatoxin M1-bovine α-lactalbumin complex formation.

M. García‐Garibay, Julián Cruz-Borbolla, C. Gómez-Castro, 2020, Journal of photochemistry and photobiology. B, Biology.

Anti-inflammatory effect and inhibition of nitric oxide production by targeting COXs and iNOS enzymes with the 1,2-diphenylbenzimidazole pharmacophore.

M. Rosales-Hernández, C. Gómez-Castro, I. Padilla-Martínez, 2020, Bioorganic & medicinal chemistry.

Involvement of conformational isomerism in the complexity of the crystal network of 1-(4-nitrophenyl)-1H-1,3-benzimidazole derivatives driven by C—H⋯A (A = NO2, Npy and π) and orthogonal Npy⋯NO2 and ONO⋯Csp 2 interactions

C. Gómez-Castro, I. Padilla-Martínez, E. García-Báez, 2018, Acta crystallographica. Section C, Structural chemistry.

A theoretical and experimental approach to evaluate zein-calcium interaction in nixtamalization process.

J. Rodríguez, E. Santos, Julián Cruz-Borbolla, 2019, Food chemistry.

An N-terminal acidic β-sheet domain is responsible for the metal-accumulation properties of amyloid-β protofibrils: a molecular dynamics study

C. Gómez-Castro, L. Quintanar, Alberto Vela, 2024, Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry.

Conceptual DFT, machine learning and molecular docking as tools for predicting LD50 toxicity of organothiophosphates

Julián Cruz-Borbolla, Rosa L. Camacho-Mendoza, C. Gómez-Castro, 2023, Journal of Molecular Modeling.