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Jim Pfaendtner
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Promoting transparency and reproducibility in enhanced molecular simulations
M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ...
Nature methods 16 (8), 670-673, 2019
4032019
The general AMBER force field (GAFF) can accurately predict thermodynamic and transport properties of many ionic liquids
KG Sprenger, VW Jaeger, J Pfaendtner
The Journal of Physical Chemistry B 119 (18), 5882-5895, 2015
3622015
Ice-nucleating bacteria control the order and dynamics of interfacial water
R Pandey, K Usui, RA Livingstone, SA Fischer, J Pfaendtner, EHG Backus, ...
Science advances 2 (4), e1501630, 2016
2202016
The 1-D hindered rotor approximation
J Pfaendtner, X Yu, LJ Broadbelt
Theoretical Chemistry Accounts 118, 881-898, 2007
2182007
Promoting transparency and reproducibility in enhanced molecular simulations
Nature methods 16 (8), 670-673, 2019
2092019
Trimethylamine N-oxide–derived zwitterionic polymers: A new class of ultralow fouling bioinspired materials
B Li, P Jain, J Ma, JK Smith, Z Yuan, HC Hung, Y He, X Lin, K Wu, ...
Science advances 5 (6), eaaw9562, 2019
2062019
Efficient sampling of high-dimensional free-energy landscapes with parallel bias metadynamics
J Pfaendtner, M Bonomi
Journal of chemical theory and computation 11 (11), 5062-5067, 2015
1962015
A systematic methodology for defining coarse-grained sites in large biomolecules
Z Zhang, L Lu, WG Noid, V Krishna, J Pfaendtner, GA Voth
Biophysical journal 95 (11), 5073-5083, 2008
1812008
Systematic multiscale parameterization of heterogeneous elastic network models of proteins
E Lyman, J Pfaendtner, GA Voth
Biophysical journal 95 (9), 4183-4192, 2008
1702008
Efficient simulation of explicitly solvated proteins in the well-tempered ensemble
M Deighan, M Bonomi, J Pfaendtner
Journal of chemical theory and computation 8 (7), 2189-2192, 2012
1402012
Nucleotide-dependent conformational states of actin
J Pfaendtner, D Branduardi, M Parrinello, TD Pollard, GA Voth
Proceedings of the National Academy of Sciences 106 (31), 12723-12728, 2009
1392009
Millisecond pulsed films unify the mechanisms of cellulose fragmentation
C Krumm, J Pfaendtner, PJ Dauenhauer
Chemistry of Materials 28 (9), 3108-3114, 2016
1342016
Exhaustively sampling peptide adsorption with metadynamics
M Deighan, J Pfaendtner
Langmuir 29 (25), 7999-8009, 2013
1292013
Actin filament remodeling by actin depolymerization factor/cofilin
J Pfaendtner, EM De La Cruz, GA Voth
Proceedings of the National Academy of Sciences 107 (16), 7299-7304, 2010
1212010
Tuning crystallization pathways through sequence engineering of biomimetic polymers
X Ma, S Zhang, F Jiao, CJ Newcomb, Y Zhang, A Prakash, Z Liao, ...
Nature materials 16 (7), 767-774, 2017
1202017
Deconstruction of high-density polyethylene into liquid hydrocarbon fuels and lubricants by hydrogenolysis over Ru catalyst
C Jia, S Xie, W Zhang, NN Intan, J Sampath, J Pfaendtner, H Lin
Chem Catalysis 1 (2), 437-455, 2021
1182021
Lexicography of kinetic modeling of complex reaction networks
LJ Broadbelt, J Pfaendtner
AIChE journal 51 (8), 2112-2121, 2005
1132005
Data science: Accelerating innovation and discovery in chemical engineering
DAC Beck, JM Carothers, VR Subramanian, J Pfaendtner
AIChE Journal 62 (5), 1402-1416, 2016
1112016
Structure and dynamics of the actin filament
J Pfaendtner, E Lyman, TD Pollard, GA Voth
Journal of molecular biology 396 (2), 252-263, 2010
1102010
Defining coarse-grained representations of large biomolecules and biomolecular complexes from elastic network models
Z Zhang, J Pfaendtner, A Grafmüller, GA Voth
Biophysical journal 97 (8), 2327-2337, 2009
1002009
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Articles 1–20