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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 - 2020

  •   Independent Contractor Part Time

    Merz Pharma GmbH & Co. KGaA

    Frankfurt am Main, Alemania

    2008 - 2008

  •   Associate Professor Full Time

    Pontificia Universidad Católica de Chile

    Santiago, Chile

    2021 - A la fecha

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.

Francisca Durán Osorio: "Computer-aided rational design of fXa inhibitors with aryl piperazine peptide structure", chemistry and pharmacy undergraduate thesis (co-advisor), School of Chemistry and Pharmacy, UC: Start: 2020. Graduation: 2021.

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

Tomás Cáceres: "In silico characterization of auxin binding affinity and specificity to TIR1/AFB5 receptors", biochemistry undergraduate thesis, School of Biological Sciences, UC. Start: 2023. Graduation: 2024.

Miguel Saez: "Prediction of drug targets by network-based inference guided by chemical and structural similarities", biochemistry undergraduate thesis, School of Biological Sciences, UC. Start: 2022. Graduation: 2024.

MASTER'S THESES

María Jiménez Socha: "Discovery and in vitro characterization of bioactive compounds against human fungal pathogens", Master of Science in Chemical Engineering (co-advisor), University of Puerto Rico, Mayagüez Campus, Start: 2021. Graduation: 2023.

GRADUATE THESES

Daniela Herrera Toro: “Rational engineering of resveratrol o-methyltransferase enzyme for the biological synthesis of pinoestilbene”. Graduate Program in Engineering Sciences UC, Area Chemistry and Bioprocesses. Start: 2016. Graduation: 2022.

Andrés Ibacache Chia: "In silico identification of inhibitory molecules of monocarboxylate transporters and experimental validation of their effects on tumor cells". Graduate Program in Biological Sciences UC, Molecular Genetics and Microbiology. Start: 2019. Graduation: 2024.

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).

Hade Ramos Acevedo: "Assessing the genetic diversity of Andes Orthohantavirus: Impact of non-synonymous single nucleotide variations on gene expression and response to the innate immune system". Graduate Program in Biological Sciences UC, Molecular Genetics and Microbiology (co-advisor). Start: 2023. Graduation: 2027 (anticipated).

Fabián Melo Montenegro. Graduate Program in Biological and Medical Engineering UC (co-advisor). Start: 2025. Graduation: 2029 (anticipated).

POST-DOCS

Dr. Andrés Ibacache Chia: "Rational design of monocarboxylate transporter inhibitors and their validation in an in vivo model of glioblastoma in Drosophila melanogaster", Institute for Biological and Medical Engineering UC. Start: 2024. End: 2025.

VISITING STUDENTS

Gabriela Nicolle Ramos Lizardo: "In silico prediction of resistance genes and characterization of candidate effector proteins in the interaction of Theobroma cacao with Ceratocystis cacaofunesta", visiting student from Santa Cruz State University, Graduate Program in Genetics and Molecular Biology. Start 2025. End: 2025.


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.

DISSEMINATION
2019
Workshop "Structural Virology" – Casa Azul Elementary School, Yungay 0641, La Granja, Santiago. Participants: 8 students (8th grade), 1 teacher (Ms. Paulina Figueroa), 2 assistants. March 27, 2019. http://pregrado.bio.uc.cl/noticias/docente-de-nuestra-facultad-realiza-exitoso-taller-de-virologia-para-escolares-en-la-granja/

2017
Virus workshop in the 1st grade class at Saint Albans School, Manhattan, New York, United States (http://www.saintalbansnyc.com/). November 2017.

2015
Tutor of the course "Theoretical and practical introduction to computer-assisted rational drug design." Courses in Bioinformatics and Computational Biology, ISCB RSG-Chile (Regional Student Group of the International Society of Computational Biology), Universidad de Concepción, Concepción, Chile, August + December 2015. http://rsg-chile.iscbsc.org/.

ACADEMIC SOCIETY MEMBERSHIP
Since Sep 2024 Collaborator of the Advanced Center for Chronic Diseases (ACCDiS), Chile
Since Jun 2012 Member of the International Society of Computational Biology (ISCB)
Since 2006 Member of the German Chemical Society (GDCh)


Premios y Distinciones

  •   Stipend "Fund of the Chemical Industry"

    Association of the Chemical Industry

    Alemania, 2015

    Doctoral stipend

  •   Travel Fellowship - EU Horizon 2020 Research and Innovation Staff Exchange (RISE) – Repeat protein Function Refinement, Annotation and Classification of Topologies (REFRACT)

    UNIVERSITA DEGLI STUDI DI PADOVA

    Italia, 2024

    1 month travel fellowship - EU Horizon 2020 Research and Innovation Staff Exchange (RISE) – Repeat protein Function Refinement, Annotation and Classification of Topologies (REFRACT)

  •   Visiting Scientist

    ALBERT EINSTEIN COLLEGE OF MEDICINE

    Estados Unidos, 2017

    Visiting Scientist at the Department of Systems & Computational Biology, Albert Einstein College of Medicine, New York, USA, invited by Dr. Andras Fiser, Apr – Jun 2017

  •   Visiting Scientist

    ALBERT EINSTEIN COLLEGE OF MEDICINE

    Chile, 2018

    Visiting scientist at the Department of Systems & Computational Biology, Albert Einstein College of Medicine, New York, USA, invited by Dr. Andras Fiser. Jan – Mar 2018

  •   Visiting Scientist

    ALBERT EINSTEIN COLLEGE OF MEDICINE

    Chile, 2019

    Visiting scientist at the Department of Systems & Computational Biology, Albert Einstein College of Medicine, New York, USA, invited by Dr. Andras Fiser. Jan – Mar 2019


 

Article (24)

Engineering substrate acceptance of Resveratrol O-Methyltransferase from Vitis vinifera for the selective synthesis of O-methyl protected biobased hydroxystyrenes
The Inhibitory Effects of the Natural Stilbene Piceatannol on Lactate Transport In Vitro Mediated by Monocarboxylate Transporters
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

Proyecto (13)

Development and implementation of an instrument to evaluate the impact of the service-learning methodology on biostatistics students
Diseño racional de moléculas inhibidoras de transportadores de lactato y su validación en modelos in vitro e in vivo de cáncer
Identificación de compuestos antivirales para inhibir el proceso de entrada del Hantavirus Andes
Pequeñas moléculas inhibidoras de los transportadores de monocarboxilatos como estrategia contra el glioblastoma
Rational design of monocarboxylate transporter inhibitors and their validation in an in vivo model of glioblastoma in Drosophila melanogaster
EMBO Global Exchange Lecture Course: Structural and Biophysical Methods for Biological Macromolecules in Solution
Detection of protein binding site residues by physicochemical and spatial uniqueness
ISCB-LA SOIBIO EMBnet 2018 International conference on bioinformatics and computational biology
Synthesis of coagulation inhibitors coupled to nanoparticles with activity against factor Xa and platelet aggregation. A green chemistry strategy for the development of dual antithrombotic agents
Optimización de la actividad enzimática de VvROMT mediante ingeniería de proteinas racional para la síntesis sustentable del nutracéutico pterostilbeno
Development of a hybrid ligand-and structure-based method for small molecule target prediction
Assessment of rationally designed small molecule inhibitors targeting the human respiratory syncytial virus matrix protein
Modeling of Protein-DNA interactions by Adaptive Optimization
5
Francisco Melo

Profesor Titular

Genetica Molecular y Microbiologia

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

37
Andreas Schüller

Associate Professor

Pontificia Universidad Católica de Chile

Santiago, Chile

3
Nibaldo Inestrosa

Full Professor

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

1
Tomás Norambuena

Group Lead del equipo de Data Science y Bioinformática

Data Science y Bioinformática

Meristem SpA

Santiago, Chile

1
Alex Slater

Profesor Asistente

Escuela de Biotecnología

Universidad Mayor

Santiago, Chile

1
Carolina Lindsay

Bioquímica - Unidad de Investigación

Dpto. de Investigación e Innovación

Hospital Dr. Franco Ravera Zunino

Rancagua, Chile