Man

Andreas Peter Schüller

Associate Professor

Pontificia Universidad Católica de Chile

Santiago, Chile

Líneas de Investigación


Bioinformatics, cheminformatics, computational chemogenomics, prediction of protein-ligand interactions, prediction of protein-DNA interactions, computer-aided drug design, rational protein engineering, molecular modelling

Educación

  •  Biochemistry, JOHANN WOLFGANG GOETHE UNIVERSITAT FRANKFURT. Alemania, 2004
  •  Chemistry, JOHANN WOLFGANG GOETHE UNIVERSITAT FRANKFURT. Alemania, 2009

Experiencia Académica

  •   Postdoctoral Fellow Full Time

    National University of Singapore

    Duke-NUS Graduate Medical School

    Singapur, Singapur

    2008 - 2010

  •   Postdoctorado FONDECYT Full Time

    PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

    Ciencias Biológicas

    Santiago, Chile

    2010 - 2012

  •   Postdoctorado Full Time

    PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

    Intituto Milenio en Inmunologi?a e Inmunoterapia

    Santiago, Chile

    2012 - 2014

Experiencia Profesional

  •   Investigador Adjunto Full Time

    Pontificia Universidad Católica de Chile

    Santiago, Chile

    2011 - 2015

  •   Assistant Professor Full Time

    Pontificia Universidad Católica de Chile

    Santiago, Chile

    2015 - At present

  •   Independent Contractor Part Time

    Merz Pharma GmbH & Co. KGaA

    Frankfurt am Main, Alemania

    2008 - 2008

Formación de Capital Humano


UNDERGRADUATE THESES

Claudio Ponce Acosta: "Detection of protein-ligand binding site residues by a physicochemical and spatial uniqueness approach", biochemistry undergraduate thesis, School of Biological Sciences, UC. Start: 2018. Graduation: 2019.

Carlos Vigil: "Weak binding paradox for de novo target prediction", biochemistry undergraduate thesis, School of Biological Sciences, UC. Start: 2021. Graduation: 2022.

Miguel Saez: "De novo prediction of drug targets using network-based inference guided by chemical and structural similarity", biochemistry undergraduate thesis, School of Biological Sciences, UC. Start: 2022. Graduation: 2024 (anticipated).

Tomás Cáceres: "In silico characterization of the affinity and specificity of auxin binding to TIR1/AFBs receptors", biochemistry undergraduate thesis, School of Biological Sciences, UC. Start: 2023. Graduation: 2024 (anticipated).

GRADUATE THESES

Daniela Herrera Toro: “Change in selectivity and specificity of the enzyme resveratrol O-methyltransferase (VvROMT) through rational protein engineering and its application in stilbene biosynthesis”. Graduate Program in Engineering Sciences UC, Area Chemistry and Bioprocesses. Start: 2016. Graduation: 2022.

Andrés Ibacache Chia: "In silico identification of inhibitors of monocarboxylate transporters and their validation as targets for the inhibition of tumor cell proliferation". Graduate Program in Biological Sciences UC, Molecular Genetics and Microbiology. Start: 2019. Graduation: 2024 (anticipated).

Joaquín Gutiérrez Benavente: "Rational design of oligopeptides for the inhibition of the bacterial enzyme choline trimethylamine lyase". Graduate Program in Biological Sciences UC, Molecular Genetics and Microbiology. Start: 2020. Graduation: 2025 (anticipated).


Difusión y Transferencia


Intellectual Property - Software Registration
F. Melo, M. Lima, D. Bustamante, A. Schüller, F. Rodriguez, J. Cares, L. Almonacid: Online Application System for Graduate Programs – SPEL. Pontificia Universidad Católica de Chile. Department of Intellectual Rights, Inscription Nº 252895, April 2015.


Premios y Distinciones

  •   Stipend "Fund of the Chemical Industry"

    Association of the Chemical Industry

    Alemania, 2015

    Doctoral stipend


 

Article (22)

De Novo Prediction of Drug Targets and Candidates by Chemical Similarity-Guided Network-Based Inference
Calculation of accurate interatomic contact surface areas for the quantitative analysis of non-bonded molecular interactions
Exploring DNA dynamics within oligonucleosomes with coarse-grained simulations: SIRAH force field extension for protein-DNA complexes
Andrographolide activates the canonical Wnt signalling pathway by a mechanism that implicates the non-ATP competitive inhibition of GSK-3 beta: autoregulation of GSK-3 beta in vivo
PDIviz: analysis and visualization of protein-DNA binding interfaces
Tetrahydrohyperforin: a neuroprotective modified natural compound against Alzheimer's disease
Effects of Tetrahydrohyperforin in Mouse Hippocampal Slices: Neuroprotection, Long-term Potentiation and TRPC Channels
Exploring the binding of peptidic West Nile virus NS2B-NS3 protease inhibitors by NMR
Computer-Based Annotation of Putative AraC/XylS-Family Transcription Factors of Known Structure but Unknown Function
Structure-guided fragment-based in silico drug design of dengue protease inhibitors
Tripeptide inhibitors of dengue and West Nile virus NS2B-NS3 protease
Adaptive Combinatorial Design of Focused Compound Libraries
Amino Derivatives of Indole As Potent Inhibitors of Isoprenyleysteine Carboxyl Methyltransferase
Isozyme-Specific Fluorescent Inhibitor of Glutathione S-Transferase Omega 1
Quantitative Structure-Fluorescence Property Relationship Analysis of a Large BODIPY Library
Concept of combinatorial De novo design of drug-like molecules by particle swarm optimization
Identification of hits and lead structure candidates with limited resources by adaptive optimization
The concept of template-based de novo design from drug-derived molecular fragments and its application to TAR RNA
Molecular query language (MQL) - A context-free grammar for substructure matching
SmiLib v2.0: A Java-based tool for rapid combinatorial library enumeration
A pseudo-ligand approach to virtual screening
SMILIB: Rapid assembly of combinatorial libraries in SMILES notation
22
Andreas Schüller

Associate Professor

Pontificia Universidad Católica de Chile

Santiago, Chile

5
Francisco Melo

Profesor Titular

Genetica Molecular y Microbiologia

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

3
Nibaldo Inestrosa

Full Professor

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

1
Alex Slater

Profesor Asistente

Escuela de Biotecnología

Universidad Mayor

Santiago, Chile

1
Tomás Norambuena

Group Lead del equipo de Data Science y Bioinformática

Data Science y Bioinformática

Meristem SpA

Santiago, Chile