FDUP - Publications with the same authors as the Probing the interface of choline chloride-based deep eutectic solvent ethaline with gold surfaces: A molecular dynamics simulation study publication

Química Computacional

Maria Natália Cordeiro (Author) (FCUP); André Melo (Author) (FCUP)

2012

Scientific classification

Systematic Development of Vanadium Catalysts for Sustainable Epoxidation of Small Alkenes and Allylic Alcohols

Ferraz-Caetano, J (Author) (FCUP); Teixeira, F (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2023

Indexing

Strengths, Weaknesses, Opportunities and Threats: Computational Studies of Mn- and Fe-Catalyzed Epoxidations

Teixeira, F (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2017

Indexing

Simultaneous Modeling of Antimycobacterial Activities and ADMET Profiles: A Chemoinformatic Approach to Medicinal Chemistry

Alejandro Speck Planche (Author) (Other); Cordeiro, MNDS (Author) (FCUP)

2013

Scientific classification Indexing

Ruthenium-Platinum Catalysts and Direct Methanol Fuel Cells (DMFC): A Review of Theoretical and Experimental Breakthroughs

Moura, AS (Author) (Other); Jose L C Fajin (Author) (FCUP); Mandado, M (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2017

Indexing

Role of Ligand-Based Drug Design Methodologies toward the Discovery of New Anti-Alzheimer Agents: Futures Perspectives in Fragment-Based Ligand Design

Speck Planche, A (Author) (Other); Luan, F (Author) (Other); Cordeiro, MNDS (Author) (FCUP)

2012

Scientific classification Indexing

Review of Structures Containing Fullerene-C-60 for Delivery of Antibacterial Agents. Multitasking Model for Computational Assessment of Safety Profiles

Kleandrova, VV (Author) (Other); Luan, F (Author) (Other); Speck Planche, A (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2015

Indexing

Review of quantitative structure-activity/property relationship studies of dyes: recent advances and perspectives

Feng Luan (Author) (Other); Xuan Xu (Author) (Other); Huitao T Liu (Author) (Other); Maria Natalia D S Dias Soeiro Cordeiro (Author) (FCUP)

2013

Scientific classification Indexing

Response to "Comment on 'Uncertainties in scaling factors for ab initio vibrational zero-point energies' and 'Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional'" [J. Chem. Phys. 134, 167101 (2011)]

Filipe Teixeira (Author) (Other); Andre Melo (Author) (FCUP); Natalia N D S Cordeiro (Author) (FCUP)

2011

Scientific classification Indexing

Rational Design of Multi-Target Estrogen Receptors ER alpha and ER beta by QSAR Approaches

Zhao, Q (Author) (Other); Lu, YX (Author) (Other); Zhao, Y (Author) (Other); Li, RC (Author) (Other); Luan, F (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2017

Indexing

Quinoxaline, its derivatives and applications: A State of the Art review

Pereira, JA (Author) (Other); Pessoa, AM (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP); Fernandes, R (Author) (Other); Prudencio, C (Author) (Other); Noronha, JP (Author) (Other); Vieira, M (Author) (Other)

2015

Indexing

QSAR Studies of PTP1B Inhibitors: Recent Advances and Perspectives

Luan, F (Author) (Other); Xu, X (Author) (Other); Liu, HT (Author) (Other); Cordeiro, MNDS (Author) (FCUP); Zhang, XY (Author) (Other)

2012

Scientific classification Indexing

QSAR modelling: a therapeutic patent review 2010-present

Halder, AK (Author) (Other); Moura, AS (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2018

Indexing

Probing the Hypothesis of SAR Continuity Restoration by the Removal of Activity Cliffs Generators in QSAR

Cruz Monteagudo, M (Author) (Other); Medina Franco, JL (Author) (Other); Perera Sardina, Y (Author) (Other); Fernanda Borges (Author) (FCUP); Tejera, E (Author) (Other); Paz y Mino, C (Author) (Other); Perez Castillo, Y (Author) (Other); Sanchez Rodriguez, A (Author) (Other); Contreras Posada, Z (Author) (Other); Natalia N D S Cordeiro (Author) (FCUP)

2016

Indexing