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A novel missense mutation in the HSD3B2 gene, underlying nonsalt-wasting congenital adrenal hyperplasia. new insight into the structure-function relationships of 3β-hydroxysteroid dehidrogenase type II

artículo científico publicado en 2015

A whole genome bioinformatic approach to determine potential latent phase specific targets in Mycobacterium tuberculosis.

artículo científico publicado en 2015

Aromatic clusters in protein-protein and protein-drug complexes

artículo científico publicado en 2020

AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions

scientific article published on 01 October 2019

Conformational and Reaction Dynamic Coupling in Histidine Kinases: Insights from Hybrid QM/MM Simulations

artículo científico publicado en 2020

Correction to Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking and Allows Accurate Binding Free Energy Predictions

scientific article published on 13 June 2018

Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening

artículo científico publicado en 2019

Folding and Dynamics Are Strongly pH-Dependent in a Psychrophile Frataxin

artículo científico publicado en 2019

Functional analysis of a mosquito short-chain dehydrogenase cluster ⬇️

artículo científico publicado el 13 de diciembre de 2012

Juvenile hormone synthesis: "esterify then epoxidize" or "epoxidize then esterify"? Insights from the structural characterization of juvenile hormone acid methyltransferase.

artículo científico publicado en 2010

Kinase Activation by Small Conformational Changes

artículo científico publicado en 2019

Molecular Dynamics Simulations Provide Atomistic Insight into Hydrogen Exchange Mass Spectrometry Experiments

artículo científico publicado en 2012

Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions.

artículo científico publicado en 2017

Multiscale approach to the activation and phosphotransfer mechanism of CpxA histidine kinase reveals a tight coupling between conformational and chemical steps.

artículo científico publicado en 2017

Preclinical development of novel Rac1-GEF signaling inhibitors using a rational design approach in highly aggressive breast cancer cell lines.

artículo científico publicado en 2014

Protein topology determines cysteine oxidation fate: the case of sulfenyl amide formation among protein families

artículo científico publicado en 2015

QM/MM study of the C-C coupling reaction mechanism of CYP121, an essential cytochrome p450 of Mycobacterium tuberculosis.

artículo científico publicado en 2013

Reverse Engineering of an Aspirin-Responsive Transcriptional Regulator in Escherichia coli

artículo científico publicado en 2019

Solvents to Fragments to Drugs: MD Applications in Drug Design

article by Lucas A Defelipe et al published 11 December 2018 in Molecules

Structural and mechanistic comparison of the Cyclopropane Mycolic Acid Synthases (CMAS) protein family of Mycobacterium tuberculosis.

artículo científico publicado en 2017

Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level

artículo científico publicado en 2021

Target-Pathogen: a structural bioinformatic approach to prioritize drug targets in pathogens

artículo científico publicado en 2017

Thiol redox biochemistry: insights from computer simulations

artículo científico publicado en 2014

TuberQ: a Mycobacterium tuberculosis protein druggability database

artículo científico publicado en 2014

Two novel DNA variants associated with glucose-6-phosphate dehydrogenase deficiency found in Argentine pediatric patients

artículo científico publicado en 2016

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