PDI - Resultado de Búsqueda

Andreas Peter Schüller

Associate Professor

Pontificia Universidad Católica de Chile

Santiago, Chile

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

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

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

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

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).

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.

Stipend "Fund of the Chemical Industry"

Association of the Chemical Industry

Alemania, 2015

Doctoral stipend


De Novo Prediction of Drug Targets and Candidates by Chemical Similarity-Guided Network-Based Inference Vigil-Vasquez, Carlos; Schuller, Andreas Article ISI INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2022)
Calculation of accurate interatomic contact surface areas for the quantitative analysis of non-bonded molecular interactions Ribeiro, Judemir; Ríos-Vera, Carlos; Melo, Francisco; Schüller, Andreas Article ISI SCOPUS BIOINFORMATICS (2019)
Exploring DNA dynamics within oligonucleosomes with coarse-grained simulations: SIRAH force field extension for protein-DNA complexes Brandner, Astrid; Schüller, Andreas; Melo, Francisco; Pantano, Sergio Article ISI SCOPUS BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2018)
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 Tapia-Rojas, C; Schuller, A; Lindsay C.B.; Ureta R.C.; Mejias-Reyes C.; Hancke, J; Melo F.; Inestrosa, N. C. Article ISI SCOPUS BIOCHEMICAL JOURNAL (2015)
PDIviz: analysis and visualization of protein-DNA binding interfaces Ribeiro J.; Melo F.; Schuller, A Article ISI SCOPUS Bioinformatics (2015)
Tetrahydrohyperforin: a neuroprotective modified natural compound against Alzheimer's disease Montecinos-Oliva, C; Schuller, A; Inestrosa, NC Article ISI SCOPUS Neural Regeneration Research (2015)
Effects of Tetrahydrohyperforin in Mouse Hippocampal Slices: Neuroprotection, Long-term Potentiation and TRPC Channels Montecinos-Oliva, C.; Schueller, A.; Parodi, J.; Melo, F.; Inestrosa, N. C. Article ISI CURRENT MEDICINAL CHEMISTRY (2014)
Exploring the binding of peptidic West Nile virus NS2B-NS3 protease inhibitors by NMR Kang, CB; Gayen, S; Wang, WL; Severin, R; Chen, AS; Lim, HA; Chia, CSB; Schuller, A; Doan, DNP; Poulsen, A; Hill J.; Vasudevan, SG; Keller, TH Article ISI SCOPUS Antiviral Research (2013)
Computer-Based Annotation of Putative AraC/XylS-Family Transcription Factors of Known Structure but Unknown Function Schuller, A; Slater, A.W.; Norambuena, T; Cifuentes J.J.; Almonacid, L.I.; Melo F. Article ISI SCOPUS Journal of Biomedicine and Biotechnology (2012)
Structure-guided fragment-based in silico drug design of dengue protease inhibitors Knehans, T; Schuller, A; Doan, DN; Nacro, K; Hill J.; Guntert, P; Madhusudhan, MS; Weil, T; Vasudevan, SG Article ISI JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2011)
Tripeptide inhibitors of dengue and West Nile virus NS2B-NS3 protease Schuller, A; Yin Z.; Chia, CSB; Doan, DNP; Kim, HK; Shang, LQ; Loh, TP; Hill J.; Vasudevan, SG Article ISI SCOPUS Antiviral Research (2011)
Adaptive Combinatorial Design of Focused Compound Libraries Schneider, Gisbert; Schueller, Andreas; Roque, ACA Article ISI NEISSERIA MENINGITIDIS (2010)
Amino Derivatives of Indole As Potent Inhibitors of Isoprenyleysteine Carboxyl Methyltransferase Go, ML; Leow, JL; Gorla, SK; Schuller, AP; Wang, M; Casey, PJ Article ISI JOURNAL OF MEDICINAL CHEMISTRY (2010)
Isozyme-Specific Fluorescent Inhibitor of Glutathione S-Transferase Omega 1 Son, J; Lee, JJ; Lee, JS; Schuller, A; Chang, YT Article ISI ACS CHEMICAL BIOLOGY (2010)
Quantitative Structure-Fluorescence Property Relationship Analysis of a Large BODIPY Library Schuller, A; Goh, GB; Kim, H; Lee, JS; Chang, YT Article ISI MOLECULAR INFORMATICS (2010)
Concept of combinatorial De novo design of drug-like molecules by particle swarm optimization Hartenfeller, Markus; Proschak, Ewgenij; Schueller, Andreas; Schneider, Gisbert Article ISI CHEMICAL BIOLOGY & DRUG DESIGN (2008)
Identification of hits and lead structure candidates with limited resources by adaptive optimization Schueler, Andreas; Schneider, Gisbert Article ISI JOURNAL OF CHEMICAL INFORMATION AND MODELING (2008)
The concept of template-based de novo design from drug-derived molecular fragments and its application to TAR RNA Schueller, Andreas; Suhartono, Marcel; Fechner, Uli; Tanrikulu, Yusuf; Breitung, Sven; Scheffer, Ute; Goebel, Michael W.; Schneider, Gisbert Article ISI JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2008)
Molecular query language (MQL) - A context-free grammar for substructure matching Proschak, Ewgenij; Wegner, Joerg K.; Schueller, Andreas; Schneider, Gisbert; Fechner, Uli Article ISI JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
SmiLib v2.0: A Java-based tool for rapid combinatorial library enumeration Schueller, Andreas; Haehnke, Volker; Schneider, Gisbert Article ISI QSAR COMBINATORIAL SCIENCE (2007)
A pseudo-ligand approach to virtual screening Schueller, Andreas; Fechner, Uli; Renner, Steffen; Franke, Lutz; Weber, Lutz; Schneider, Gisbert Article ISI COMBINATORIAL CHEMISTRY HIGH THROUGHPUT SCREENING (2006)
SMILIB: Rapid assembly of combinatorial libraries in SMILES notation Schuller, A; Schneider, G; Byvatov, E Article ISI QSAR COMBINATORIAL SCIENCE (2003)