Andreas Schüller
Andreas Schüller
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Cited by
Tripeptide inhibitors of dengue and West Nile virus NS2B–NS3 protease
A Schüller, Z Yin, CSB Chia, DNP Doan, HK Kim, L Shang, TP Loh, J Hill, ...
Antiviral research 92 (1), 96-101, 2011
Concept of Combinatorial De Novo Design of Drug‐like Molecules by Particle Swarm Optimization
M Hartenfeller, E Proschak, A Schüller, G Schneider
Chemical biology & drug design 72 (1), 16-26, 2008
Andrographolide activates the canonical Wnt signalling pathway by a mechanism that implicates the non-ATP competitive inhibition of GSK-3β: autoregulation of GSK-3β in vivo
C Tapia-Rojas, A Schüller, CB Lindsay, RC Ureta, C Mejías-Reyes, ...
Biochemical Journal 466 (2), 415-430, 2015
SmiLib v2. 0: a Java‐based tool for rapid combinatorial library enumeration
A Schüller, V Hähnke, G Schneider
QSAR & Combinatorial Science 26 (3), 407-410, 2007
Structure-guided fragment-based in silico drug design of dengue protease inhibitors
T Knehans, A Schüller, DN Doan, K Nacro, J Hill, P Güntert, ...
Journal of computer-aided molecular design 25, 263-274, 2011
Calculation of accurate interatomic contact surface areas for the quantitative analysis of non-bonded molecular interactions
J Ribeiro, C Ríos-Vera, F Melo, A Schüller
Bioinformatics 35 (18), 3499-3501, 2019
Amino derivatives of indole as potent inhibitors of isoprenylcysteine carboxyl methyltransferase
ML Go, JL Leow, SK Gorla, AP Schüller, M Wang, PJ Casey
Journal of medicinal chemistry 53 (19), 6838-6850, 2010
Molecular query language (mql) a context-free grammar for substructure matching
E Proschak, JK Wegner, A Schüller, G Schneider, U Fechner
Journal of chemical information and modeling 47 (2), 295-301, 2007
The concept of template-based de novo design from drug-derived molecular fragments and its application to TAR RNA
A Schüller, M Suhartono, U Fechner, Y Tanrikulu, S Breitung, U Scheffer, ...
Journal of computer-aided molecular design 22, 59-68, 2008
Isozyme-Specific Fluorescent Inhibitor of Glutathione S-Transferase Omega 1
J Son, JJ Lee, JS Lee, A Schüller, YT Chang
ACS Chemical Biology 5 (5), 449-453, 2010
Exploring the binding of peptidic West Nile virus NS2B–NS3 protease inhibitors by NMR
CB Kang, S Gayen, W Wang, R Severin, AS Chen, HA Lim, CSB Chia, ...
Antiviral research 97 (2), 137-144, 2013
SMILIB: Rapid Assembly of Combinatorial Libraries in SMILES Notation
A Schüller, G Schneider, E Byvatov
QSAR & Combinatorial Science 22 (7), 719-721, 2003
Exploring DNA dynamics within oligonucleosomes with coarse-grained simulations: SIRAH force field extension for protein-DNA complexes
A Brandner, A Schüller, F Melo, S Pantano
Biochemical and biophysical research communications 498 (2), 319-326, 2018
Effects of tetrahydrohyperforin in mouse hippocampal slices: neuroprotection, long-term potentiation and TRPC channels
C Montecinos-Oliva, A Schuller, J Parodi, F Melo, NC Inestrosa
Current medicinal chemistry 21 (30), 3494-3506, 2014
PDIviz: analysis and visualization of protein–DNA binding interfaces
J Ribeiro, F Melo, A Schüller
Bioinformatics 31 (16), 2751-2753, 2015
Quantitative structure‐fluorescence property relationship analysis of a large BODIPY library
A Schüller, GB Goh, H Kim, JS Lee, YT Chang
Molecular Informatics 29 (10), 717-729, 2010
Identification of hits and lead structure candidates with limited resources by adaptive optimization
A Schüller, G Schneider
Journal of chemical information and modeling 48 (7), 1473-1491, 2008
A pseudo-ligand approach to virtual screening
A Schuller, U Fechner, S Renner, L Franke, L Weber, G Schneider
Combinatorial chemistry & high throughput screening 9 (5), 359-364, 2006
Computer-based annotation of putative AraC/XylS-family transcription factors of known structure but unknown function
A Schüller, AW Slater, T Norambuena, JJ Cifuentes, LI Almonacid, F Melo
BioMed Research International 2012, 2012
Adaptive combinatorial design of focused compound libraries
G Schneider, A Schüller
Ligand-Macromolecular Interactions in Drug Discovery: Methods and Protocols …, 2010
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