| Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: Meeting new challenges I Kufareva, V Katritch, ..., J Xia, JH Hsieh, LR Zhang, XS Wang, …, ... Structure 22, 1120-1139, 2014 | 184 | 2014 |
| Bending SX Wang, M Filizola, M Ceruso, H Weinstein | 151* | |
| Novel inhibitors of human histone deacetylase (HDAC) identified by QSAR modeling of known inhibitors, virtual screening, and experimental validation H Tang, XS Wang, XP Huang, BL Roth, KV Butler, AP Kozikowski, M Jung, ... Journal of chemical information and modeling 49 (2), 461-476, 2009 | 122 | 2009 |
| Antitumor agents. 266. Design, synthesis and biological evaluation of novel 2-(furan-2-yl)naphthalen-1-ol derivatives as potent and selective antibreast cancer agents. YZ Dong, Q Shi, YN Liu, X Wang, KF Bastow, KH Lee J. Med. Chem. 52, 3586-3590, 2009 | 90 | 2009 |
| Life beyond kinases: Structure-based discovery of sorafenib as nanomolar antagonist of 5-HT receptors X Lin, XP Huang, S Peng, Y Wang, SX Wang, BL Roth, N Huang J. Med. Chem. 55, 5749-5759, 2012 | 88 | 2012 |
| Identification of putative agouti-related protein (87-132)-melanocortin-4 receptor interactions by homology molecular modeling and validation using chimeric peptide ligands A Wilczynski, XS Wang, CG Joseph, Z Xiang, RM Bauzo, JW Scott, ... Journal of medicinal chemistry 47 (9), 2194-2207, 2004 | 88 | 2004 |
| Dynamic models of G-Protein Coupled Receptors dimers: Indications of asymmetry in the rhodopsin dimer from molecular dynamics simulations in a POPC bilayer M Filizola, SX Wang, H Weinstein The Journal of Computer-Aided Molecular Design 20, 405-416, 2006 | 81 | 2006 |
| Predictive QSAR Modeling: Methods and Applications in Drug Discovery andChemical Risk Assessment A Golbraikh, XS Wang, H Zhu, A Tropsha Handbook of Computational Chemistry, 1309-1342, 2012 | 77 | 2012 |
| An Unbiased Method To Build Benchmarking Sets for Ligand-Based Virtual Screening and its Application To GPCRs J Xia, H Jin, Z Liu, L Zhang, XS Wang Journal of chemical information and modeling 54 (5), 1433-1450, 2014 | 60 | 2014 |
| Recent patents on ophthalmic nanoformulations and therapeutic implications RC Nagarwal, AM Ako-Adounvo, SH Boddu, XS Wang, PK Karla Recent Patents on Drug Delivery & Formulation 8, 193-201, 2014 | 55* | 2014 |
| Discovery of Geranylgeranyltransferase-I Inhibitors with Novel Scaffolds by the Means of Quantitative Structure− Activity Relationship Modeling, Virtual Screening, and … YK Peterson, XS Wang, PJ Casey, A Tropsha Journal of medicinal chemistry 52 (14), 4210-4220, 2009 | 54 | 2009 |
| Benchmarking methods and data sets for ligand enrichment assessment in virtual screening J Xia, EL Tilahun, TE Reid, LR Zhang, XS Wang Methods, 146–157, 2015 | 50 | 2015 |
| Cheminformatics meets molecular mechanics: a combined application of knowledge-based pose scoring and physical force field-based hit scoring functions improves the accuracy of … JH Hsieh, S Yin, XS Wang, S Liu, NV Dokholyan, A Tropsha Journal of chemical information and modeling 52 (1), 16-28, 2012 | 48 | 2012 |
| Differentiation of AmpC beta-lactamase binders vs. decoys using classification kNN QSAR modeling and application of the QSAR classifier to virtual screening JH Hsieh, XS Wang, D Teotico, A Golbraikh, A Tropsha Journal of computer-aided molecular design 22 (9), 593-609, 2008 | 46 | 2008 |
| Combinatorial QSAR modeling of specificity and subtype selectivity of ligands binding to serotonin receptors 5HT1E and 5HT1F XS Wang, H Tang, A Golbraikh, A Tropsha Journal of chemical information and modeling 48 (5), 997-1013, 2008 | 37 | 2008 |
| Application of Quantitative Structure–Activity Relationship Models of 5-HT1A Receptor Binding to Virtual Screening Identifies Novel and Potent 5-HT1A Ligands M Luo, XS Wang, BL Roth, A Golbraikh, A Tropsha Journal of chemical information and modeling 54 (2), 634-647, 2014 | 36 | 2014 |
| Do crystal structures obviate the need for theoretical models of GPCRs for structure‐based virtual screening? H Tang, XS Wang, JH Hsieh, A Tropsha Proteins: Structure, Function, and Bioinformatics 80 (6), 1503-1521, 2012 | 35 | 2012 |
| Comparative Analysis of QSAR‐based vs. Chemical Similarity Based Predictors of GPCRs Binding Affinity M Luo, XS Wang, A Tropsha Molecular Informatics 35 (1), 36-41, 2016 | 34 | 2016 |
| Comparative modeling and benchmarking data set for human histone deacetylases and sirtuin families J Xia, EL Tilahun, EH Kebede, TE Reid, LR Zhang, XS Wang J. Chem. Inf. Model. 55 (2), 374–388, 2015 | 31 | 2015 |
| QSAR modeling of GPCR ligands: Methodologies and examples of applications A Tropsha, SX Wang GPCRs: From Deorphanization to Lead Structure Identification, 49-73, 2007 | 26 | 2007 |
Alexander TropshaProfessor at UNC-Chapel Hill在 unc.edu 的电子邮件经过验证
