Jim Pfaendtner, Ph.D. - Publications

Northwestern University, Evanston, IL 
multiscale modeling, complex kinetics modeling, environmental catalysis, novel biochemical pathways, and polymerization/depolymerization kinetics

37 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Sprenger KG, Choudhury A, Kaar JL, Pfaendtner J. The Lytic Polysaccharide Monooxygenases ScLPMO10B and ScLPMO10C Are Stable in Ionic Liquids as Determined by Molecular Simulations. The Journal of Physical Chemistry. B. PMID 27052057 DOI: 10.1021/acs.jpcb.6b01688  1
2016 Beck DAC, Carothers JM, Subramanian V, Pfaendtner J. Data science: Accelerating innovation and discovery in chemical engineering Aiche Journal. DOI: 10.1002/aic.15192  1
2015 Bereau T, Bennett WF, Pfaendtner J, Deserno M, Karttunen M. Folding and insertion thermodynamics of the transmembrane WALP peptide. The Journal of Chemical Physics. 143: 243127. PMID 26723612 DOI: 10.1063/1.4935487  1
2015 Fleming KL, Tiwary P, Pfaendtner J. A New Approach for Investigating Reaction Dynamics and Rates with Ab Initio Calculations. The Journal of Physical Chemistry. A. PMID 26690335 DOI: 10.1021/acs.jpca.5b10667  1
2015 de la Iglesia P, Jaeger VW, Xi Y, Pfaendtner J, Pozzo LD. Structure Characterization and Properties of Metal-Surfactant Complexes Dispersed in Organic Solvents. Langmuir : the Acs Journal of Surfaces and Colloids. 31: 9006-16. PMID 26212253 DOI: 10.1021/acs.langmuir.5b02071  1
2015 Levine ZA, Fischer SA, Shea JE, Pfaendtner J. Trp-Cage Folding on Organic Surfaces. The Journal of Physical Chemistry. B. 119: 10417-25. PMID 26207727 DOI: 10.1021/acs.jpcb.5b04213  1
2015 Elder RM, Pfaendtner J, Jayaraman A. Effect of Hydrophobic and Hydrophilic Surfaces on the Stability of Double-Stranded DNA. Biomacromolecules. 16: 1862-9. PMID 25961882 DOI: 10.1021/acs.biomac.5b00469  1
2015 Zheng S, Pfaendtner J. Enhanced sampling of chemical and biochemical reactions with metadynamics Molecular Simulation. 41: 55-72. DOI: 10.1080/08927022.2014.923574  1
2015 Newbloom GM, Hoffmann SM, West AF, Gile MC, Sista P, Cheung HKC, Luscombe CK, Pfaendtner J, Pozzo LD. Solvatochromism and conformational changes in fully dissolved poly(3-alkylthiophene)s Langmuir. 31: 458-468. DOI: 10.1021/la503666x  1
2015 Lutz H, Jaeger V, Berger R, Bonn M, Pfaendtner J, Weidner T. Biomimetic Growth of Ultrathin Silica Sheets Using Artificial Amphiphilic Peptides Advanced Materials Interfaces. DOI: 10.1002/admi.201500282  1
2014 Baio JE, Zane A, Jaeger V, Roehrich AM, Lutz H, Pfaendtner J, Drobny GP, Weidner T. Diatom mimics: directing the formation of biosilica nanoparticles by controlled folding of lysine-leucine peptides. Journal of the American Chemical Society. 136: 15134-7. PMID 25285787 DOI: 10.1021/ja5078238  1
2014 Paulsen AD, Hough BR, Williams CL, Teixeira AR, Schwartz DT, Pfaendtner J, Dauenhauer PJ. Fast Pyrolysis of Wood for Biofuels: Spatiotemporally Resolved Diffuse Reflectance In situ Spectroscopy of Particles. Chemsuschem. PMID 24678023 DOI: 10.1002/cssc.201301056  1
2014 Zheng S, Pfaendtner J. Car-Parrinello molecular dynamics + metadynamics study of high-temperature methanol oxidation reactions using generic collective variables Journal of Physical Chemistry C. 118: 10764-10770. DOI: 10.1021/jp500398k  1
2013 Fleming KL, Pfaendtner J. Characterizing the catalyzed hydrolysis of β-1,4 glycosidic bonds using density functional theory. The Journal of Physical Chemistry. A. 117: 14200-8. PMID 24266504 DOI: 10.1021/jp4081178  1
2013 Fleming K, Matthaei J, Richards J, Pozzo D, Pfaendtner J. A new graduate level seminar to prepare students for the next step in their careers Education Division 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 231.  1
2012 Pfaendtner J, Volkmann N, Hanein D, Dalhaimer P, Pollard TD, Voth GA. Key structural features of the actin filament Arp2/3 complex branch junction revealed by molecular simulation. Journal of Molecular Biology. 416: 148-61. PMID 22206989 DOI: 10.1016/j.jmb.2011.12.025  1
2011 Pozzo D, Pfaendtner J, Matos MA, Baratuci WB, Borgford-Parnell JL, Biermans ASA. Integration of the Chemical Engineering laboratory with a focus on biofuel production Asee Annual Conference and Exposition, Conference Proceedings 1
2010 Pfaendtner J, De La Cruz EM, Voth GA. Actin filament remodeling by actin depolymerization factor/cofilin. Proceedings of the National Academy of Sciences of the United States of America. 107: 7299-304. PMID 20368459 DOI: 10.1073/pnas.0911675107  1
2010 Pfaendtner J, Lyman E, Pollard TD, Voth GA. Structure and dynamics of the actin filament. Journal of Molecular Biology. 396: 252-63. PMID 19931282 DOI: 10.1016/j.jmb.2009.11.034  1
2009 Zhang Z, Pfaendtner J, Grafmüller A, Voth GA. Defining coarse-grained representations of large biomolecules and biomolecular complexes from elastic network models. Biophysical Journal. 97: 2327-37. PMID 19843465 DOI: 10.1016/j.bpj.2009.08.007  1
2009 Pfaendtner J, Branduardi D, Parrinello M, Pollard TD, Voth GA. Nucleotide-dependent conformational states of actin. Proceedings of the National Academy of Sciences of the United States of America. 106: 12723-8. PMID 19620726 DOI: 10.1073/pnas.0902092106  1
2008 Pfaendtner J, Voth GA. Molecular dynamics simulation and coarse-grained analysis of the Arp2/3 complex. Biophysical Journal. 95: 5324-33. PMID 18805923 DOI: 10.1529/biophysj.108.143313  1
2008 Zhang Z, Lu L, Noid WG, Krishna V, Pfaendtner J, Voth GA. A systematic methodology for defining coarse-grained sites in large biomolecules. Biophysical Journal. 95: 5073-83. PMID 18757560 DOI: 10.1529/biophysj.108.139626  1
2008 Lyman E, Pfaendtner J, Voth GA. Systematic multiscale parameterization of heterogeneous elastic network models of proteins. Biophysical Journal. 95: 4183-92. PMID 18658214 DOI: 10.1529/biophysj.108.139733  1
2008 Yu X, Pfaendtner J, Broadbelt LJ. Ab initio study of acrylate polymerization reactions: methyl methacrylate and methyl acrylate propagation. The Journal of Physical Chemistry. A. 112: 6772-82. PMID 18588274 DOI: 10.1021/jp800643a  1
2008 Pfaendtner J, Broadbelt LJ. Mechanistic modeling of lubricant degradation. 2. the autoxidation of decane and octane Industrial and Engineering Chemistry Research. 47: 2897-2904. DOI: 10.1021/ie071481z  1
2008 Pfaendtner J, Broadbelt LJ. Mechanistic modeling of lubricant degradation. 1. Structure - reactivity relationships for free-radical oxidation Industrial and Engineering Chemistry Research. 47: 2886-2896. DOI: 10.1021/ie0714807  1
2008 Pfaendtner J, Branduardi D, Parrinello M, Voth GA. Multiscale investigation of nucleotide effects in actin structures Aiche Annual Meeting, Conference Proceedings 1
2008 Broadbelt LJ, Pfaendtner J. Mechanistic modeling of lubricant degradation: The autoxidation of alkanes Acs National Meeting Book of Abstracts 1
2007 Pfaendtner J, Broadbelt LJ. Contra-thermodynamic behavior in intermolecular hydrogen transfer of alkylperoxy radicals. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 8: 1969-78. PMID 17680581 DOI: 10.1002/cphc.200700161  1
2007 Pfaendtner J, Broadbelt LJ. Elucidation of structure-reactivity relationships in hindered phenols via quantum chemistry and transition state theory Chemical Engineering Science. 62: 5232-5239. DOI: 10.1016/j.ces.2006.12.080  1
2007 Pfaendtner J, Yu X, Broadbelt LJ. The 1-D hindered rotor approximation Theoretical Chemistry Accounts. 118: 881-898. DOI: 10.1007/s00214-007-0376-5  1
2006 Pfaendtner J, Yu X, Broadbelt LJ. Quantum chemical investigation of low-temperature intramolecular hydrogen transfer reactions of hydrocarbons. The Journal of Physical Chemistry. A. 110: 10863-71. PMID 16970383 DOI: 10.1021/jp061649e  1
2005 Broadbelt LJ, Pfaendtner J. Lexicography of kinetic modeling of complex reaction networks Aiche Journal. 51: 2112-2121. DOI: 10.1002/aic.10599  1
2005 Pfaendtner J, Broadbelt LJ, Wang QJ. Quantum chemical studies of free-radical, hindered phenol stabilizers Proceedings of the World Tribology Congress Iii - Wtc 2005 1
2005 Pfaendtner J, Broadbelt LJ, Wang QJ. Strategies for constructing reaction networks of lubricant degradation Proceedings of the World Tribology Congress Iii - 2005. 917-918.  1
2005 Pfaendtner J, Wang QJ, Broadbelt L. Design of new lubricant formulations through mechanistic modeling Aiche Annual Meeting, Conference Proceedings. 10633.  0.56
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