| Statistical mechanics and molecular dynamics in evaluating thermodynamic properties of biomolecular recognition J Wereszczynski, JA McCammon Quarterly reviews of biophysics 45 (1), 1-25, 2012 | 192 | 2012 |
| Sortase transpeptidases: structural biology and catalytic mechanism AW Jacobitz, MD Kattke, J Wereszczynski, RT Clubb Advances in protein chemistry and structural biology 109, 223-264, 2017 | 138 | 2017 |
| The conformation of the histone H3 tail inhibits association of the BPTF PHD finger with the nucleosome EA Morrison, S Bowerman, KL Sylvers, J Wereszczynski, CA Musselman Elife 7, e31481, 2018 | 111 | 2018 |
| Poly (amidoamine) dendrimers on lipid bilayers I: Free energy and conformation of binding CV Kelly, PR Leroueil, EK Nett, JM Wereszczynski, JR Baker Jr, BG Orr, ... The Journal of Physical Chemistry B 112 (31), 9337-9345, 2008 | 86 | 2008 |
| Detecting allosteric networks using molecular dynamics simulation S Bowerman, J Wereszczynski Methods in enzymology 578, 429-447, 2016 | 79 | 2016 |
| Discovery of Staphylococcus aureus Sortase A Inhibitors Using Virtual Screening and the Relaxed Complex Scheme AH Chan, J Wereszczynski, BR Amer, SW Yi, ME Jung, JA McCammon, ... Chemical biology & drug design 82 (4), 418-428, 2013 | 71 | 2013 |
| Impact of calcium on N1 influenza neuraminidase dynamics and binding free energy M Lawrenz, J Wereszczynski, R Amaro, R Walker, A Roitberg, ... Proteins: Structure, Function, and Bioinformatics 78 (11), 2523-2532, 2010 | 63 | 2010 |
| Nucleotide-dependent mechanism of Get3 as elucidated from free energy calculations J Wereszczynski, JA McCammon Proceedings of the National Academy of Sciences 109 (20), 7759-7764, 2012 | 60 | 2012 |
| Effects of MacroH2A and H2A. Z on nucleosome dynamics as elucidated by molecular dynamics simulations S Bowerman, J Wereszczynski Biophysical journal 110 (2), 327-337, 2016 | 57 | 2016 |
| Using selectively applied accelerated molecular dynamics to enhance free energy calculations J Wereszczynski, JA McCammon Journal of Chemical Theory and Computation 6 (11), 3285-3292, 2010 | 55 | 2010 |
| Simulations of Biased Agonists in the β2 Adrenergic Receptor with Accelerated Molecular Dynamics IG Tikhonova, B Selvam, A Ivetac, J Wereszczynski, JA McCammon Biochemistry 52 (33), 5593-5603, 2013 | 54 | 2013 |
| On structural transitions, thermodynamic equilibrium, and the phase diagram of DNA and RNA duplexes under torque and tension J Wereszczynski, I Andricioaei Proceedings of the National Academy of Sciences 103 (44), 16200-16205, 2006 | 54 | 2006 |
| Structural and computational studies of the Staphylococcus aureus sortase B-substrate complex reveal a substrate-stabilized oxyanion hole AW Jacobitz, J Wereszczynski, SW Yi, BR Amer, GL Huang, AV Nguyen, ... Journal of Biological Chemistry 289 (13), 8891-8902, 2014 | 48 | 2014 |
| Atomistic scale effects of lipopolysaccharide modifications on bacterial outer membrane defenses A Rice, J Wereszczynski Biophysical journal 114 (6), 1389-1399, 2018 | 47 | 2018 |
| Probing the disparate effects of arginine and lysine residues on antimicrobial peptide/bilayer association A Rice, J Wereszczynski Biochimica et Biophysica Acta (BBA)-Biomembranes 1859 (10), 1941-1950, 2017 | 47 | 2017 |
| The binding mechanism, multiple binding modes, and allosteric regulation of Staphylococcus aureus Sortase A probed by molecular dynamics simulations K Kappel, J Wereszczynski, RT Clubb, JA McCammon Protein science 21 (12), 1858-1871, 2012 | 45 | 2012 |
| Archaeal chromatin ‘slinkies’ are inherently dynamic complexes with deflected DNA wrapping pathways S Bowerman, J Wereszczynski, K Luger Elife 10, e65587, 2021 | 41 | 2021 |
| Salmonella Membrane Structural Remodeling Increases Resistance to Antimicrobial Peptide LL-37 MW Martynowycz, A Rice, K Andreev, TM Nobre, I Kuzmenko, ... ACS infectious diseases 5 (7), 1214-1222, 2019 | 37 | 2019 |
| Thermodynamic integration to predict host-guest binding affinities M Lawrenz, J Wereszczynski, JM Ortiz-Sánchez, SE Nichols, ... Journal of computer-aided molecular design 26 (5), 569-576, 2012 | 37 | 2012 |
| CENP-N promotes the compaction of centromeric chromatin K Zhou, M Gebala, D Woods, K Sundararajan, G Edwards, D Krzizike, ... Nature structural & molecular biology 29 (4), 403-413, 2022 | 36 | 2022 |
Prof. J. Andrew McCammonUniversity of California, San DiegoVerified email at ucsd.edu
