| Enhanced sampling in molecular dynamics using metadynamics, replica-exchange, and temperature-acceleration C Abrams, G Bussi Entropy 16 (1), 163-199, 2013 | 491 | 2013 |
| Large-scale conformational sampling of proteins using temperature-accelerated molecular dynamics CF Abrams, E Vanden-Eijnden Proceedings of the National Academy of Sciences USA 107 (11), 4961-4966, 2010 | 214 | 2010 |
| Associating HIV-1 envelope glycoprotein structures with states on the virus observed by smFRET M Lu, X Ma, LR Castillo-Menendez, J Gorman, N Alsahafi, U Ermel, ... Nature 568 (7752), 415-419, 2019 | 192 | 2019 |
| Structural basis for calmodulin as a dynamic calcium sensor M Zhang, C Abrams, L Wang, A Gizzi, L He, R Lin, Y Chen, PJ Loll, ... Structure 20 (5), 911-923, 2012 | 167 | 2012 |
| Polymers near metal surfaces: Selective adsorption and global conformations L Delle Site, CF Abrams, A Alavi, K Kremer Physical review letters 89 (15), 156103, 2002 | 159 | 2002 |
| Combined coarse-grained and atomistic simulation of liquid bisphenol a− polycarbonate: liquid packing and intramolecular structure CF Abrams, K Kremer Macromolecules 36 (1), 260-267, 2003 | 135 | 2003 |
| Molecular dynamics simulations of Si etching by energetic CF Abrams, DB Graves Journal of applied physics 86 (11), 5938-5948, 1999 | 121 | 1999 |
| Energetic ion bombardment of surfaces: Molecular dynamics simulations CF Abrams, DB Graves Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films 16 (5 …, 1998 | 100 | 1998 |
| The β20–β21 of gp120 is a regulatory switch for HIV-1 Env conformational transitions A Herschhorn, C Gu, F Moraca, X Ma, M Farrell, AB Smith III, M Pancera, ... Nature communications 8 (1), 1049, 2017 | 95 | 2017 |
| Ligand escape pathways and (un) binding free energy calculations for the hexameric insulin-phenol complex H Vashisth, CF Abrams Biophysical journal 95 (9), 4193-4204, 2008 | 93 | 2008 |
| Dual-resolution coarse-grained simulation of the bisphenol-a-polycarbonate/nickel interface CF Abrams, L Delle Site, K Kremer Physical Review E 67 (2), 021807, 2003 | 85 | 2003 |
| Collapse dynamics of a polymer chain: Theory and simulation CF Abrams, NK Lee, SP Obukhov Europhysics Letters 59 (3), 391, 2002 | 85 | 2002 |
| New C–F interatomic potential for molecular dynamics simulation of fluorocarbon film formation J Tanaka, CF Abrams, DB Graves Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films 18 (3 …, 2000 | 78 | 2000 |
| Toughened epoxy polymers via rearrangement of network topology M Sharifi, CW Jang, CF Abrams, GR Palmese Journal of Materials Chemistry A 2 (38), 16071-16082, 2014 | 72 | 2014 |
| The effect of bond length on the structure of dense bead–spring polymer melts CF Abrams, K Kremer The Journal of Chemical Physics 115 (6), 2776-2785, 2001 | 69 | 2001 |
| Comparison of crosslinking algorithms in molecular dynamics simulation of thermosetting polymers C Jang, TW Sirk, JW Andzelm, CF Abrams Macromolecular Theory and Simulations 24 (3), 260-270, 2015 | 64 | 2015 |
| Mechanism of multivalent nanoparticle encounter with HIV-1 for potency enhancement of peptide triazole virus inactivation AR Bastian, A Nangarlia, LD Bailey, A Holmes, RVK Sundaram, C Ang, ... Journal of Biological Chemistry 290 (1), 529-543, 2015 | 62 | 2015 |
| “DFG-flip” in the insulin receptor kinase is facilitated by a helical intermediate state of the activation loop H Vashisth, L Maragliano, CF Abrams Biophysical journal 102 (8), 1979-1987, 2012 | 62 | 2012 |
| Epoxy polymer networks with improved thermal and mechanical properties via controlled dispersion of reactive toughening agents M Sharifi, C Jang, CF Abrams, GR Palmese Macromolecules 48 (20), 7495-7502, 2015 | 61 | 2015 |
| Modeling of crystal nucleation and growth in athermal polymers: Self-assembly of layered nano-morphologies NC Karayiannis, K Foteinopoulou, CF Abrams, M Laso Soft Matter 6 (10), 2160-2173, 2010 | 61 | 2010 |
