| 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 | 104 | 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 | 100 | 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 | 93 | 2015 |
| 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 | 81 | 2019 |
| 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 | 81 | 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 | 70 | 2011 |
| 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 | 59 | 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 | 48 | 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 | 45 | 2008 |
| 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 | 41 | 2013 |
| 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 | 40 | 2010 |
| SMILIB: Rapid Assembly of Combinatorial Libraries in SMILES Notation A Schüller, G Schneider, E Byvatov QSAR & Combinatorial Science 22 (7), 719-721, 2003 | 40 | 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 | 34 | 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 | 33 | 2014 |
| 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 | 29 | 2010 |
| PDIviz: analysis and visualization of protein–DNA binding interfaces J Ribeiro, F Melo, A Schüller Bioinformatics 31 (16), 2751-2753, 2015 | 24 | 2015 |
| 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 | 24 | 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 | 23 | 2006 |
| Rational design of resveratrol O-methyltransferase for the production of pinostilbene DP Herrera, AM Chánique, A Martínez-Márquez, R Bru-Martínez, ... International Journal of Molecular Sciences 22 (9), 4345, 2021 | 22 | 2021 |
| 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 (1), 103132, 2012 | 16 | 2012 |
