Dimas Suarez - Dissemin

All papers authored by Dimas Suarez

This paper was not found in any repository, but could be made available legally by the author.

2023 Ángel Martín Pendás

, Evelio Francisco

, Dimas Suárez

, Aurora Costales

, Natalia Díaz

, Julen Munárriz

, Tomás Rocha-Rinza, José Manuel Guevara-Vela

Atoms in molecules in real space: a fertile field for chemical bonding

Upload

This paper is made freely available by the publisher.

2022 Natalia Díaz

, Dimas Suárez

Toward Reliable and Insightful Entropy Calculations on Flexible Molecules

Download from pubs.acs.org

R. López, F. J. Pereira

, D. Suárez

, A. J. Aller

Speciation of organoarsenicals in aqueous solutions by Raman spectrometry and quantum chemical calculations

Upload

F. J. Pereira

, R. López, D. Suárez

, A. J. Aller

pH-dependent structural changes of arsenic oxoacids in solution and solid phase: Raman spectrometry and computational studies

Upload

Dimas Suárez

, Natalia Díaz

Amphiphilic cyclodextrins: Dimerization and diazepam binding explored by molecular dynamics simulations

Upload

Roberto López, Natalia Díaz

, Evelio Francisco

, Angel Martín-Pendás

, Dimas Suárez

QM/MM Energy Decomposition Using the Interacting Quantum Atoms Approach

Download from pubs.acs.org

2021 F. J. Pereira

, R. López, A. Rodríguez-Cordero, L. C. Robles, D. Suárez

, A. J. Aller

New models involving quantum chemical parameters for assessing the chromatographic retention process

Upload

Fernando Jiménez-Grávalos

, Dimas Suárez

A Quantum Chemical Topology Picture of Intermolecular Electrostatic Interactions and Charge Penetration Energy

Download from pubs.acs.org

Natalia Díaz

, Dimas Suárez

Influence of charge configuration on substrate binding to SARS-CoV-2 main protease

Upload

2020 Natalia Díaz

, Dimas Suárez

Understanding the Conformational Properties of Fluorinated Polypeptides: Molecular Modelling of Unguisin A

Upload

Dimas Suarez

, Natalia Diaz

SARS-CoV-2 Main Protease: A Molecular Dynamics Study

Upload

Ana Díaz-Fernández

, Rebeca Miranda-Castro

, Natalia Diaz

, Dimas Suarez

, Noemí de-Los-Santos-Álvarez

, Maria Jesus Lobo Castanon

Aptamers targeting protein-specific glycosylation in tumor biomarkers: general selection, characterization and structural modeling

Download from doi.org

2019 Roberto López, Natalia Díaz, Dimas Suárez

Alkali and Alkaline‐Earth Cations in Complexes with Small Bioorganic Ligands: Ab Initio Benchmark Calculations and Bond Energy Decomposition

Upload

Natalia Díaz

, Fernando Jiménez-Grávalos

, Dimas Suárez

, Evelio Francisco

, Ángel Martín-Pendás

Fluorine conformational effects characterized by energy decomposition analysis

Upload

2018 Dimas Suárez

, Natalia Díaz

Affinity Calculations of Cyclodextrin Host–Guest Complexes: Assessment of Strengths and Weaknesses of End-Point Free Energy Methods

Upload

Fernando Jiménez-Grávalos, Natalia Díaz, Evelio Francisco, Ángel Martín-Pendás, Dimas Suárez

Interacting Quantum Atoms Approach and Electrostatic Solvation Energy: Assessing Atomic and Group Solvation Contributions

Upload

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

Download from api.wiley.com

2017 Dimas Suárez

, Natalia Díaz

Ligand Strain and Entropic Effects on the Binding of Macrocyclic and Linear Inhibitors: Molecular Modeling of Penicillopepsin Complexes

Upload

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

Upload

Natalia Díaz, Dimas Suárez

Molecular Dynamics Studies of Matrix Metalloproteases

Upload

Missing publications? Search for publications with a matching author name.

Researcher

Statistics

Refine

All papers authored by Dimas Suarez