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5-HT2 receptor affinity, docking studies and pharmacological evaluation of a series of 1,3-disubstituted thiourea derivatives

artículo científico publicado en 2016

Alteration of surface properties of dipalmitoyl phosphatidylcholine by benzo[a]pyrene: a model of pulmonary effects of diesel exhaust inhalation

artículo científico publicado en 2012

Beyond amino acid sequence: disulfide bonds and the origins of the extreme amyloidogenic properties of insulin's H-fragment

scientific article published on 26 April 2019

Coarse-Grained Modeling of Protein Dynamics

artículo científico publicado en 2014

Coarse-Grained Protein Models and Their Applications

artículo científico publicado en 2016

Coarse-Grained Simulations of Membrane Insertion and Folding of Small Helical Proteins Using the CABS Model

artículo científico publicado en 2016

Design and synthesis of novel 1H-tetrazol-5-amine based potent antimicrobial agents: DNA topoisomerase IV and gyrase affinity evaluation supported by molecular docking studies

artículo científico publicado en 2018

Determination and modelling of stereoselective interactions of ligands with drug transporters: a key dimension in the understanding of drug disposition

artículo científico publicado en 2008

Docking interactions determine early cleavage events in insulin proteolysis by pepsin: Experiment and simulation

artículo científico publicado en 2020

Flexible docking of peptides to proteins using CABS-dock

artículo científico publicado en 2019

Generation and characterization of a novel, permanently active S100P mutant

artículo científico publicado en 2008

Interactions of benzo[a]pyrene and diesel exhaust particulate matter with the lung surfactant system

artículo científico publicado en 2011

Molecular interactions between fenoterol stereoisomers and derivatives and the β₂-adrenergic receptor binding site studied by docking and molecular dynamics simulations

artículo científico publicado en 2013

Protein Dynamics Simulations Using Coarse-Grained Models

artículo científico publicado en 2018

Protein Structure Prediction Using Coarse-Grained Models

artículo científico publicado en 2018

Rapid self-association of highly amyloidogenic H-fragments of insulin: Experiment and molecular dynamics simulations

scientific article published on 15 February 2020

Structural Basis of GD2 Ganglioside and Mimetic Peptide Recognition by 14G2a Antibody.

artículo científico publicado en 2015

Structural Elucidation of β-Lactam Diastereoisomers through Ion Mobility Mass Spectrometry Studies and Theoretical Calculations

artículo científico publicado en 2016

Structural elucidation of specific noncovalent association of folic acid with native cyclodextrins using an ion mobility mass spectrometry and theoretical approach

artículo científico publicado en 2014

Structure prediction of the second extracellular loop in G-protein-coupled receptors

artículo científico publicado en 2014

Study of a structurally similar kappa opioid receptor agonist and antagonist pair by molecular dynamics simulations.

artículo científico publicado en 2010

Study on the feasibility of bacteriorhodopsin as bio-photosensitizer in excitonic solar cell: a first report.

artículo científico publicado en 2009

Synthesis, structural and antimicrobial studies of type II topoisomerase-targeted copper(II) complexes of 1,3-disubstituted thiourea ligands.

artículo científico publicado en 2018

The Effect of Conjugation of Ciprofloxacin and Moxifloxacin with Fatty Acids on Their Antibacterial and Anticancer Activity

artículo científico publicado en 2022

The effect of triple glutamic mutations E9Q/E194Q/E204Q on the structural stability of bacteriorhodopsin

artículo científico publicado en 2014

The mechanism of ligand-induced activation or inhibition of μ- and κ-opioid receptors.

artículo científico publicado en 2015

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