Enhanced sampling in molecular dynamics using metadynamics, replica-exchange, and temperature-acceleration C Abrams, G Bussi
Entropy 16 (1), 163-199, 2013
478 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
211 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
178 2019 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
158 2002 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
153 2012 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
134 2003 Molecular dynamics simulations of Si etching by energetic CF Abrams, DB Graves
Journal of applied physics 86 (11), 5938-5948, 1999
119 1999 Energetic ion bombardment of CF Abrams, DB Graves
Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films 16 (5 …, 1998
100 1998 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
92 2008 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
90 2017 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
84 2003 Collapse dynamics of a polymer chain: Theory and simulation CF Abrams, NK Lee, SP Obukhov
Europhysics Letters 59 (3), 391, 2002
84 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
69 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
67 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
63 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
60 2012 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
59 2010 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
58 2015 