M. Orozco

Conserved Lysine in transmembrane helix 5 is key for the inner gating of the LAT transporter BasC

This study identifies a conserved lysine in TM5 of BasC as critical for cytoplasmic gate dynamics, showing its role in gating transitions and modulation by substrates and mutations.

Proton Transfers to DNA in Native Electrospray Ionization Mass Spectrometry: A QM/MM Study.

This paper uses QM/MM simulations to study proton transfer mechanisms in DNA during native electrospray ionization mass spectrometry, revealing complex hydration and droplet size-dependent behavior.

A glutamine-based single α-helix scaffold to target globular proteins

This paper introduces a method to design peptides that fold into single α-helices using glutamine side chain to main chain hydrogen bonds, enabling targeted interactions with globular proteins.

Prediction Of The Impact Of Genetic Variability On Drug Sensitivity For Clinically Relevant EGFR Mutations

The paper evaluates in silico methods to predict the impact of EGFR mutations on drug sensitivity, finding that high-level simulations provide better predictive power than sequence-based approaches.

THE IMPACT OF THE HYDROXYMETHYLCYTOSINE EPIGENETIC SIGNATURE ON DNA STRUCTURE AND FUNCTION

This study investigates how 5-hydroxymethylation of DNA affects DNA structure and function, showing that hmC leads to more rigid DNA and alters MBD binding compared to mC.

RNA-Dependent RNA Polymerase From SARS-CoV-2. Mechanism Of Reaction And Inhibition By Remdesivir.

This study investigates the mechanism of SARS-CoV-2 RdRp reaction and Remdesivir inhibition using computational methods, finding that Remdesivir is incorporated into RNA and later leads to inhibition through a Pinners reaction.

Colibactin DNA damage signature indicates causative role in colorectal cancer

The paper identifies a mutational signature caused by colibactin in human colorectal cancers.

Side chain to main chain hydrogen bonds stabilize a polyglutamine helix in the activation domain of a transcription factor

This study investigates how polyglutamine tract length affects the structure and function of the androgen receptor, revealing hydrogen bonds that stabilize a helical conformation linked to transcriptional activity and disease.

An in-depth look at DNA crystals through the prism of molecular dynamics simulations

This study uses molecular dynamics simulations to investigate how crystallization additives and symmetry groups affect the structure and stability of B-DNA crystals.

Compaction of Duplex Nucleic Acids upon Native Electrospray Mass Spectrometry

This study shows that DNA and RNA duplexes become more compact in the gas phase under native electrospray conditions compared to their solution structures.