Dimas Suárez

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 14

Top Venues

Journal of chemical information and modeling

Physical chemistry chemical physics : PCCP

Journal of chemical theory and computation

Chemphyschem : a European journal of chemical physics and physical chemistry

Universidad de Oviedo

Universidad de Oviedo (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Universidad de Oviedo

Spain

Prof. titular :: Quimica Fisica y Analitica

Education History

Universidad de Oviedo

Spain

PHD

Publications

Roberto López, Dimas Suárez
Pyrolytic conversion of glucose into hydroxymethylfurfural and furfural: Benchmark quantum-chemical calculations. Journal of computational chemistry (2024)
Angel Martin Pendás, Evelio Francisco, Dimas Suárez, Aurora Costales Castro, Natalia Díaz, Julen Munarriz, Tomás Rocha-Rinza, José Manuel Guevara-Vela
Atoms in molecules in real space: a fertile field for chemical bonding. Physical chemistry chemical physics : PCCP (2023)
Natalia Díaz, Dimas Suárez
Toward Reliable and Insightful Entropy Calculations on Flexible Molecules. Journal of chemical theory and computation (2022)
Roberto López, Natalia Díaz, Evelio Francisco, Angel Martin Pendás, Dimas Suárez
QM/MM Energy Decomposition Using the Interacting Quantum Atoms Approach. Journal of chemical information and modeling 62 (6) (2022)
Natalia Díaz, Dimas Suárez
Influence of charge configuration on substrate binding to SARS-CoV-2 main protease. Chemical communications (Cambridge, England) 57 (43) (2021)
Fernando Jiménez-Grávalos, Dimas Suárez
A Quantum Chemical Topology Picture of Intermolecular Electrostatic Interactions and Charge Penetration Energy. Journal of chemical theory and computation 17 (8) (2021)
Natalia Díaz, Dimas Suárez
Understanding the Conformational Properties of Fluorinated Polypeptides: Molecular Modelling of Unguisin A. Journal of chemical information and modeling 61 (1) (2020)
Ana Díaz-Fernández, Rebeca Miranda-Castro, Natalia Díaz, Dimas Suárez, Noemí de-Los-Santos-Álvarez, María Jesús Lobo-Castañón
Aptamers targeting protein-specific glycosylation in tumor biomarkers: general selection, characterization and structural modeling. Chemical science 11 (35) (2020)
Dimas Suárez, Natalia Díaz
SARS-CoV-2 Main Protease: A Molecular Dynamics Study. Journal of chemical information and modeling 60 (12) (2020)
Dimas Suárez, Natalia Díaz
Affinity Calculations of Cyclodextrin Host-Guest Complexes: Assessment of Strengths and Weaknesses of End-Point Free Energy Methods. Journal of chemical information and modeling 59 (1) (2019)
Natalia Díaz, Fernando Jiménez-Grávalos, Dimas Suárez, Evelio Francisco, Angel Martin Pendás
Fluorine conformational effects characterized by energy decomposition analysis. Physical chemistry chemical physics : PCCP 21 (45) (2019)
Dimas Suárez, Natalia Díaz
Conformational and entropy analyses of extended molecular dynamics simulations of α-, β- and γ-cyclodextrins and of the β-cyclodextrin/nabumetone complex. Physical chemistry chemical physics : PCCP 19 (2) (2018)
Dimas Suárez, Natalia Díaz, Evelio Francisco, Angel Martín Pendás
Application of the Interacting Quantum Atoms Approach to the S66 and Ionic-Hydrogen-Bond Datasets for Noncovalent Interactions. Chemphyschem : a European journal of chemical physics and physical chemistry 19 (8) (2018)
Dimas Suárez, Natalia Díaz
Ligand Strain and Entropic Effects on the Binding of Macrocyclic and Linear Inhibitors: Molecular Modeling of Penicillopepsin Complexes. Journal of chemical information and modeling 57 (8) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Dimas Suárez