Computational methods in drug discovery SP Leelananda, S Lindert Beilstein Journal of Organic Chemistry 12 (1), 2694-2718, 2016 | 643 | 2016 |
Macromolecular modeling and design in Rosetta: recent methods and frameworks JK Leman, BD Weitzner, SM Lewis, J Adolf-Bryfogle, N Alam, RF Alford, ... Nature methods 17 (7), 665-680, 2020 | 609 | 2020 |
Antiinfectives targeting enzymes and the proton motive force X Feng, W Zhu, LA Schurig-Briccio, S Lindert, C Shoen, R Hitchings, J Li, ... Proceedings of the National Academy of Sciences 112 (51), E7073-E7082, 2015 | 185 | 2015 |
Exploring the role of receptor flexibility in structure-based drug discovery F Feixas, S Lindert, W Sinko, JA McCammon Biophysical chemistry 186, 31-45, 2014 | 168 | 2014 |
Insight into the mechanisms of adenovirus capsid disassembly from studies of defensin neutralization JG Smith, M Silvestry, S Lindert, W Lu, GR Nemerow, PL Stewart PLoS Pathog 6 (6), e1000959, 2010 | 162 | 2010 |
Accounting for Receptor Flexibility and Enhanced Sampling Methods in Computer‐Aided Drug Design W Sinko, S Lindert, JA McCammon Chemical biology & drug design 81 (1), 41-49, 2013 | 126 | 2013 |
Antibacterial drug leads targeting isoprenoid biosynthesis W Zhu, Y Zhang, W Sinko, ME Hensler, J Olson, KJ Molohon, S Lindert, ... Proceedings of the National Academy of Sciences 110 (1), 123-128, 2013 | 123 | 2013 |
EM-fold: de novo atomic-detail protein structure determination from medium-resolution density maps S Lindert, N Alexander, N Wötzel, M Karakaş, PL Stewart, J Meiler Structure 20 (3), 464-478, 2012 | 103 | 2012 |
EM-Fold: De novo folding of α-helical proteins guided by intermediate-resolution electron microscopy density maps S Lindert, R Staritzbichler, N Wötzel, M Karakaş, PL Stewart, J Meiler Structure 17 (7), 990-1003, 2009 | 101 | 2009 |
Relative interfacial cleavage energetics of protein complexes revealed by surface collisions SR Harvey, JT Seffernick, RS Quintyn, Y Song, Y Ju, J Yan, ... Proceedings of the National Academy of Sciences 116 (17), 8143-8148, 2019 | 84 | 2019 |
Cryo-electron microscopy structure of an adenovirus-integrin complex indicates conformational changes in both penton base and integrin S Lindert, M Silvestry, TM Mullen, GR Nemerow, PL Stewart Journal of virology 83 (22), 11491-11501, 2009 | 84 | 2009 |
PKA phosphorylation of cardiac troponin I modulates activation and relaxation kinetics of ventricular myofibrils V Rao, Y Cheng, S Lindert, D Wang, L Oxenford, AD McCulloch, ... Biophysical journal 107 (5), 1196-1204, 2014 | 71 | 2014 |
Cryo-electron microscopy structure of adenovirus type 2 temperature-sensitive mutant 1 reveals insight into the cell entry defect M Silvestry, S Lindert, JG Smith, O Maier, CM Wiethoff, GR Nemerow, ... Journal of virology 83 (15), 7375-7383, 2009 | 71 | 2009 |
AutoGrow 3.0: An improved algorithm for chemically tractable, semi-automated protein inhibitor design JD Durrant, S Lindert, JA McCammon Journal of Molecular Graphics and Modelling 44, 104-112, 2013 | 70 | 2013 |
Cell-Permeable bicyclic peptidyl inhibitors against NEMO-IκB kinase interaction directly from a combinatorial library CA Rhodes, PG Dougherty, JK Cooper, Z Qian, S Lindert, QE Wang, ... Journal of the American Chemical Society 140 (38), 12102-12110, 2018 | 66 | 2018 |
Dynamics and calcium association to the N-terminal regulatory domain of human cardiac troponin C: a multiscale computational study S Lindert, PM Kekenes-Huskey, G Huber, L Pierce, JA McCammon The Journal of Physical Chemistry B 116 (29), 8449-8459, 2012 | 62 | 2012 |
Rosetta Protein Structure Prediction from Hydroxyl Radical Protein Footprinting Mass Spectrometry Data ML Aprahamian, EE Chea, LM Jones, S Lindert Analytical chemistry 90 (12), 7721-7729, 2018 | 60 | 2018 |
Effects of HCM cTnI Mutation R145G on Troponin Structure and Modulation by PKA Phosphorylation Elucidated by Molecular Dynamics Simulations S Lindert, Y Cheng, P Kekenes-Huskey, M Regnier, JA McCammon Biophysical journal 108 (2), 395-407, 2015 | 58 | 2015 |
Computational studies of the effect of the S23D/S24D troponin I mutation on cardiac troponin structural dynamics Y Cheng, S Lindert, P Kekenes-Huskey, VS Rao, RJ Solaro, PR Rosevear, ... Biophysical journal 107 (7), 1675-1685, 2014 | 57 | 2014 |
Hybrid approaches: applying computational methods in cryo-electron microscopy S Lindert, PL Stewart, J Meiler Current opinion in structural biology 19 (2), 218-225, 2009 | 56 | 2009 |