| Ultra-large library docking for discovering new chemotypes J Lyu, S Wang, TE Balius, I Singh, A Levit, YS Moroz, MJ O’Meara, T Che, ... Nature 566 (7743), 224-229, 2019 | 897 | 2019 |
| DOCK 6: Impact of new features and current docking performance WJ Allen, TE Balius, S Mukherjee, SR Brozell, DT Moustakas, PT Lang, ... Journal of computational chemistry 36 (15), 1132-1156, 2015 | 811 | 2015 |
| A practical guide to large-scale docking BJ Bender, S Gahbauer, A Luttens, J Lyu, CM Webb, RM Stein, EA Fink, ... Nature protocols 16 (10), 4799-4832, 2021 | 420 | 2021 |
| Docking validation resources: protein family and ligand flexibility experiments S Mukherjee, TE Balius, RC Rizzo Journal of chemical information and modeling 50 (11), 1986-2000, 2010 | 224 | 2010 |
| Evaluation of DOCK 6 as a pose generation and database enrichment tool SR Brozell, S Mukherjee, TE Balius, DR Roe, DA Case, RC Rizzo Journal of computer-aided molecular design 26, 749-773, 2012 | 190 | 2012 |
| Targeting fatty acid binding protein (FABP) anandamide transporters–a novel strategy for development of anti-inflammatory and anti-nociceptive drugs WT Berger, BP Ralph, M Kaczocha, J Sun, TE Balius, RC Rizzo, ... PloS one 7 (12), e50968, 2012 | 174 | 2012 |
| Vorinostat increases carboplatin and paclitaxel activity in non‐small cell lung cancer cells TK Owonikoko, SS Ramalingam, B Kanterewicz, TE Balius, CP Belani, ... International journal of cancer 126 (3), 743-755, 2010 | 121 | 2010 |
| Property-unmatched decoys in docking benchmarks RM Stein, Y Yang, TE Balius, MJ O’Meara, J Lyu, J Young, K Tang, ... Journal of chemical information and modeling 61 (2), 699-714, 2021 | 102 | 2021 |
| Implementation and evaluation of a docking‐rescoring method using molecular footprint comparisons TE Balius, S Mukherjee, RC Rizzo Journal of computational chemistry 32 (10), 2273-2289, 2011 | 90 | 2011 |
| Testing inhomogeneous solvation theory in structure-based ligand discovery TE Balius, M Fischer, RM Stein, TB Adler, CN Nguyen, A Cruz, MK Gilson, ... Proceedings of the National Academy of Sciences 114 (33), E6839-E6846, 2017 | 84 | 2017 |
| Discovery of lysine-targeted eIF4E inhibitors through covalent docking X Wan, T Yang, A Cuesta, X Pang, TE Balius, JJ Irwin, BK Shoichet, ... Journal of the American Chemical Society 142 (11), 4960-4964, 2020 | 80 | 2020 |
| Quantitative prediction of fold resistance for inhibitors of EGFR TE Balius, RC Rizzo Biochemistry 48 (35), 8435-8448, 2009 | 78 | 2009 |
| Novel K-Ras G12C switch-II covalent binders destabilize Ras and accelerate nucleotide exchange CI Nnadi, ML Jenkins, DR Gentile, LA Bateman, D Zaidman, TE Balius, ... Journal of chemical information and modeling 58 (2), 464-471, 2018 | 59 | 2018 |
| The small molecule BI-2852 induces a nonfunctional dimer of KRAS TH Tran, P Alexander, S Dharmaiah, C Agamasu, DV Nissley, ... Proceedings of the National Academy of Sciences 117 (7), 3363-3364, 2020 | 58 | 2020 |
| Homologous ligands accommodated by discrete conformations of a buried cavity M Merski, M Fischer, TE Balius, O Eidam, BK Shoichet Proceedings of the National Academy of Sciences 112 (16), 5039-5044, 2015 | 54 | 2015 |
| Customizable de novo design strategies for DOCK: Application to HIVgp41 and other therapeutic targets WJ Allen, BC Fochtman, TE Balius, RC Rizzo Journal of computational chemistry 38 (30), 2641-2663, 2017 | 45 | 2017 |
| Origins of resistance to the HIVgp41 viral entry inhibitor T20 BE McGillick, TE Balius, S Mukherjee, RC Rizzo Biochemistry 49 (17), 3575-3592, 2010 | 43 | 2010 |
| Grid‐based molecular footprint comparison method for docking and de novo design: Application to HIVgp41 TE Balius, WJ Allen, S Mukherjee, RC Rizzo Journal of computational chemistry 34 (14), 1226-1240, 2013 | 39 | 2013 |
| RAS nanoclusters: dynamic signaling platforms amenable to therapeutic intervention QN Van, P Prakash, R Shrestha, TE Balius, TJ Turbyville, AG Stephen Biomolecules 11 (3), 377, 2021 | 27 | 2021 |
| Computer-aided identification, synthesis, and biological evaluation of novel inhibitors for botulinum neurotoxin serotype A YHG Teng, WT Berger, NM Nesbitt, K Kumar, TE Balius, RC Rizzo, ... Bioorganic & Medicinal Chemistry 23 (17), 5489-5495, 2015 | 24 | 2015 |
Brian ShoichetProfessor of Pharmaceutical Chemistry, University of California, San FranciscoVerified email at cgl.ucsf.edu
