Ligand discovery from a dopamine D3 receptor homology model and crystal structure J Carlsson, RG Coleman, V Setola, JJ Irwin, H Fan, A Schlessinger, A Sali, ... Nature chemical biology 7 (11), 769-778, 2011 | 329 | 2011 |
ModBase, a database of annotated comparative protein structure models and associated resources U Pieper, BM Webb, GQ Dong, D Schneidman-Duhovny, H Fan, SJ Kim, ... Nucleic acids research 42 (D1), D336-D346, 2014 | 289 | 2014 |
Oncogenic activation of the STAT3 pathway drives PD-L1 expression in natural killer/T-cell lymphoma TL Song, ML Nairismägi, Y Laurensia, JQ Lim, J Tan, ZM Li, WL Pang, ... Blood, The Journal of the American Society of Hematology 132 (11), 1146-1158, 2018 | 224 | 2018 |
Refinement of homology‐based protein structures by molecular dynamics simulation techniques H Fan, AE Mark Protein Science 13 (1), 211-220, 2004 | 208 | 2004 |
Structure-based ligand discovery for the Large-neutral Amino Acid Transporter 1, LAT-1 EG Geier, A Schlessinger, H Fan, JE Gable, JJ Irwin, A Sali, KM Giacomini Proceedings of the National Academy of Sciences 110 (14), 5480-5485, 2013 | 182 | 2013 |
Molecular docking screens using comparative models of proteins H Fan, JJ Irwin, BM Webb, G Klebe, BK Shoichet, A Sali Journal of chemical information and modeling 49 (11), 2512-2527, 2009 | 146 | 2009 |
Structure-based discovery of prescription drugs that interact with the norepinephrine transporter, NET A Schlessinger, E Geier, H Fan, JJ Irwin, BK Shoichet, KM Giacomini, ... Proceedings of the National Academy of Sciences 108 (38), 15810-15815, 2011 | 127 | 2011 |
Optimized atomic statistical potentials: assessment of protein interfaces and loops GQ Dong, H Fan, D Schneidman-Duhovny, B Webb, A Sali Bioinformatics 29 (24), 3158-3166, 2013 | 122 | 2013 |
Refining homology models by combining replica‐exchange molecular dynamics and statistical potentials J Zhu, H Fan, X Periole, B Honig, AE Mark Proteins: Structure, Function, and Bioinformatics 72 (4), 1171-1188, 2008 | 98 | 2008 |
Orthosteric and allosteric action of the C5a receptor antagonists H Liu, HR Kim, RNVK Deepak, L Wang, KY Chung, H Fan, Z Wei, ... Nature structural & molecular biology 25 (6), 472-481, 2018 | 92 | 2018 |
A vulnerability in popular molecular dynamics packages concerning Langevin and Andersen dynamics DS Cerutti, R Duke, PL Freddolino, H Fan, TP Lybrand Journal of chemical theory and computation 4 (10), 1669-1680, 2008 | 89 | 2008 |
Comparative study of generalized Born models: protein dynamics H Fan, AE Mark, J Zhu, B Honig Proceedings of the National Academy of Sciences 102 (19), 6760-6764, 2005 | 88 | 2005 |
Statistical potential for modeling and ranking of protein–ligand interactions H Fan, D Schneidman-Duhovny, JJ Irwin, G Dong, BK Shoichet, A Sali Journal of chemical information and modeling 51 (12), 3078-3092, 2011 | 82 | 2011 |
The structure of the C5a receptor-blocking domain of chemotaxis inhibitory protein of Staphylococcus aureus is related to a group of immune evasive molecules PJ Haas, CJC De Haas, MJJC Poppelier, KPM van Kessel, JAG van Strijp, ... Journal of molecular biology 353 (4), 859-872, 2005 | 81 | 2005 |
Structure of formylpeptide receptor 2-Gi complex reveals insights into ligand recognition and signaling Y Zhuang, H Liu, X Edward Zhou, R Kumar Verma, PW de Waal, W Jang, ... Nature communications 11 (1), 885, 2020 | 73 | 2020 |
Structural Insights into the Transport Mechanism of the Human Sodium-dependent Lysophosphatidylcholine Transporter MFSD2A*♦ DQY Quek, LN Nguyen, H Fan, DL Silver Journal of Biological Chemistry 291 (18), 9383-9394, 2016 | 66 | 2016 |
Relative stability of protein structures determined by X‐ray crystallography or NMR spectroscopy: a molecular dynamics simulation study H Fan, AE Mark Proteins: Structure, Function, and Bioinformatics: Structure, Function, and …, 2003 | 63 | 2003 |
G protein–coupled receptors in asthma therapy: pharmacology and drug action SG Wendell, H Fan, C Zhang Pharmacological reviews 72 (1), 1-49, 2020 | 56 | 2020 |
Catalytic Mechanism and Three-Dimensional Structure of Adenine Deaminase, SS Kamat, A Bagaria, D Kumaran, GP Holmes-Hampton, H Fan, A Sali, ... Biochemistry 50 (11), 1917-1927, 2011 | 55 | 2011 |
Structure-based ligand design for flexible proteins: application of new F-DycoBlock J Zhu, H Fan, H Liu, Y Shi Journal of computer-aided molecular design 15, 979-996, 2001 | 49 | 2001 |