| New developments in force fields for biomolecular simulations PS Nerenberg, T Head-Gordon Current opinion in structural biology 49, 129-138, 2018 | 218 | 2018 |
| Optimizing Protein− Solvent Force Fields to Reproduce Intrinsic Conformational Preferences of Model Peptides PS Nerenberg, T Head-Gordon Journal of Chemical Theory and Computation 7 (4), 1220-1230, 2011 | 180 | 2011 |
| Optimizing Solute–Water van der Waals Interactions To Reproduce Solvation Free Energies PS Nerenberg, B Jo, C So, A Tripathy, T Head-Gordon The Journal of Physical Chemistry B 116 (15), 4524-4534, 2012 | 166 | 2012 |
| Homogeneous and heterogeneous tertiary structure ensembles of amyloid-β peptides KA Ball, AH Phillips, PS Nerenberg, NL Fawzi, DE Wemmer, ... Biochemistry 50 (35), 7612-7628, 2011 | 159 | 2011 |
| Non-bonded force field model with advanced restrained electrostatic potential charges (RESP2) M Schauperl, PS Nerenberg, H Jang, LP Wang, CI Bayly, DL Mobley, ... Communications Chemistry 3 (1), 1-11, 2020 | 127 | 2020 |
| Perturbing the folding energy landscape of the bacterial immunity protein Im7 by site-specific N-linked glycosylation MM Chen, AI Bartlett, PS Nerenberg, CT Friel, CPR Hackenberger, ... Proceedings of the National Academy of Sciences 107 (52), 22528-22533, 2010 | 80 | 2010 |
| Collagen-a necessary accomplice in the metastatic process PS NERENBERG, R SALSAS-ESCAT, CM STULTZ Cancer Genomics-Proteomics 4 (5), 319-327, 2007 | 51 | 2007 |
| Differential unfolding of α1 and α2 chains in type I collagen and collagenolysis PS Nerenberg, CM Stultz Journal of molecular biology 382 (1), 246-256, 2008 | 49 | 2008 |
| Cleavage site specificity and conformational selection in type I collagen degradation R Salsas-Escat, PS Nerenberg, CM Stultz Biochemistry 49 (19), 4147-4158, 2010 | 47 | 2010 |
| Do collagenases unwind triple‐helical collagen before peptide bond hydrolysis? Reinterpreting experimental observations with mathematical models PS Nerenberg, R Salsas‐Escat, CM Stultz Proteins: Structure, Function, and Bioinformatics 70 (4), 1154-1161, 2008 | 47 | 2008 |
| Systematic optimization of water models using liquid/vapor surface tension data Y Qiu, PS Nerenberg, T Head-Gordon, LP Wang The Journal of Physical Chemistry B 123 (32), 7061-7073, 2019 | 43 | 2019 |
| Disordered structural ensembles of vasopressin and oxytocin and their mutants E Yedvabny, PS Nerenberg, C So, T Head-Gordon The Journal of Physical Chemistry B 119 (3), 896-905, 2015 | 43 | 2015 |
| The contribution of interchain salt bridges to triple-helical stability in collagen T Gurry, PS Nerenberg, CM Stultz Biophysical journal 98 (11), 2634-2643, 2010 | 43 | 2010 |
| Optimizing Protein–Protein van der Waals Interactions for the AMBER ff9x/ff12 Force Field DE Chapman, JK Steck, PS Nerenberg Journal of Chemical Theory and Computation 10 (1), 273-281, 2014 | 30 | 2014 |
| Embedding Aβ42 in Heterogeneous Membranes Depends on Cholesterol Asymmetries N Liguori, PS Nerenberg, T Head-Gordon Biophysical journal 105 (4), 899-910, 2013 | 24 | 2013 |
| Physical basis of metal-binding specificity in Escherichia coli NikR CM Phillips, PS Nerenberg, CL Drennan, CM Stultz Journal of the American Chemical Society 131 (29), 10220-10228, 2009 | 19 | 2009 |
| Benchmarking electronic structure methods for accurate fixed-charge electrostatic models A Zhou, M Schauperl, PS Nerenberg Journal of chemical information and modeling 60 (1), 249-258, 2019 | 18 | 2019 |
| Development and validation of AMBER-FB15-compatible force field parameters for phosphorylated amino acids JP Stoppelman, TT Ng, PS Nerenberg, LP Wang The Journal of Physical Chemistry B 125 (43), 11927-11942, 2021 | 8 | 2021 |
| Building capacity for undergraduate education and training in computational molecular science: A collaboration between the MERCURY consortium and the Molecular Sciences … AR McDonald, JA Nash, PS Nerenberg, KA Ball, O Sode, JJ Foley IV, ... International Journal of Quantum Chemistry 120 (20), e26359, 2020 | 8 | 2020 |
| Phosphoserine inhibits neighboring arginine methylation in the RKS motif of histone H3 JA Leal, ZM Estrada-Tobar, F Wade, AJP Mendiola, A Meza, M Mendoza, ... Archives of Biochemistry and Biophysics 698, 108716, 2021 | 4 | 2021 |
