| Year |
Citation |
Score |
| 2022 |
Zhao M, Lachowski KJ, Zhang S, Alamdari S, Sampath J, Mu P, Mundy CJ, Pfaendtner J, De Yoreo JJ, Chen CL, Pozzo LD, Ferguson AL. Hierarchical Self-Assembly Pathways of Peptoid Helices and Sheets. Biomacromolecules. PMID 35020390 DOI: 10.1021/acs.biomac.1c01385 |
0.748 |
|
| 2020 |
Alamdari S, Roeters SJ, Golbek TW, Schmüser L, Weidner T, Pfaendtner J. Orientation and Conformation of Proteins at the Air-Water Interface Determined from Integrative Molecular Dynamics Simulations and Sum Frequency Generation Spectroscopy. Langmuir : the Acs Journal of Surfaces and Colloids. 36: 11855-11865. PMID 32921055 DOI: 10.1021/Acs.Langmuir.0C01881 |
0.354 |
|
| 2020 |
Zhao M, Sampath J, Alamdari S, Shen G, Chen CL, Mundy CJ, Pfaendtner J, Ferguson AL. A MARTINI-Compatible Coarse-Grained Model for the Mesoscale Simulation of Peptoids. The Journal of Physical Chemistry. B. PMID 32790381 DOI: 10.1021/Acs.Jpcb.0C04567 |
0.76 |
|
| 2020 |
Xue M, Sampath J, Gebhart R, Haugen HJ, Lyngstadaas SP, Pfaendtner J, Drobny GP. Studies of dynamic binding of amino acids to TiO2 nanoparticle surfaces by Solution NMR and Molecular Dynamics Simulations. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 32693593 DOI: 10.1021/Acs.Langmuir.0C01256 |
0.761 |
|
| 2020 |
Buckle EL, Sampath J, Michael N, Whedon SD, Leonen CJA, Pfaendtner J, Drobny GP, Chatterjee C. Trimethylation of the R5 silica-precipitating peptide increases silica particle size by redirecting orthosilicate binding. Chembiochem : a European Journal of Chemical Biology. PMID 32596917 DOI: 10.1002/Cbic.202000264 |
0.752 |
|
| 2020 |
Smith JK, Pfaendtner J. Elucidating the Molecular Interactions Between Uremic Toxins and the Sudlow II Binding Site of Human Serum Albumin. The Journal of Physical Chemistry. B. PMID 32338898 DOI: 10.1021/Acs.Jpcb.0C02015 |
0.331 |
|
| 2020 |
Hellner B, Alamdari S, Pyles H, Zhang S, Prakash A, Sprenger KG, De Yoreo JJ, Baker D, Pfaendtner J, Baneyx F. Sequence-structure-binding relationships reveal adhesion behavior of the Car9 solid-binding peptide: an integrated experimental and simulation study. Journal of the American Chemical Society. PMID 31934768 DOI: 10.1021/Jacs.9B11617 |
0.419 |
|
| 2020 |
Sampath J, Alamdari S, Pfaendtner J. Closing the Gap Between Modeling and Experiments in the Self-assembly of Biomolecules at Interfaces and in Solution Chemistry of Materials. DOI: 10.1021/Acs.Chemmater.0C01891 |
0.744 |
|
| 2019 |
Emani PS, Yimer YY, Davidowski SK, Gebhart RN, Ferreira HE, Kuprov I, Pfaendtner J, Drobny GP. Combining Molecular and Spin Dynamics Simulations with Solid-State NMR: A Case Study of Amphiphilic Lysine-Leucine Repeat Peptide Aggregates. The Journal of Physical Chemistry. B. PMID 31769684 DOI: 10.1021/Acs.Jpcb.9B09245 |
0.354 |
|
| 2019 |
Smith J, McMullen P, Yuan Z, Pfaendtner J, Jiang S. Elucidating molecular design principles for charge-alternating peptides. Biomacromolecules. PMID 31738521 DOI: 10.1021/Acs.Biomac.9B01191 |
0.376 |
|
| 2019 |
Pfaendtner J. Metadynamics to Enhance Sampling in Biomolecular Simulations. Methods in Molecular Biology (Clifton, N.J.). 2022: 179-200. PMID 31396904 DOI: 10.1007/978-1-4939-9608-7_8 |
0.333 |
|
| 2019 |
Bonomi M, Bussi G, Camilloni C, Tribello GA, Banáš P, Barducci A, Bernetti M, Bolhuis PG, Bottaro S, Branduardi D, Capelli R, Carloni P, Ceriotti M, Cesari A, Chen H, ... ... Pfaendtner J, et al. Promoting transparency and reproducibility in enhanced molecular simulations Nature Methods. 16: 670-673. PMID 31363226 DOI: 10.1038/S41592-019-0506-8 |
0.331 |
|
| 2019 |
Wolf CM, Kanekal KH, Yimer YY, Tyagi M, Omar-Diallo S, Pakhnyuk V, Luscombe CK, Pfaendtner J, Pozzo LD. Assessment of molecular dynamics simulations for amorphous poly(3-hexylthiophene) using neutron and X-ray scattering experiments. Soft Matter. PMID 31183486 DOI: 10.1039/C9Sm00807A |
0.355 |
|
| 2019 |
Mao CM, Sampath J, Sprenger KG, Drobny GP, Pfaendtner J. Molecular Driving Forces in Peptide Adsorption to Metal Oxide Surfaces. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 30955325 DOI: 10.1021/Acs.Langmuir.8B01392 |
0.772 |
|
| 2019 |
Fu CD, He Y, Pfaendtner J. Diagnosing the Impact of External Electric Fields Chemical Kinetics: Application to Toluene Oxidation and Pyrolysis. The Journal of Physical Chemistry. A. PMID 30843399 DOI: 10.1021/Acs.Jpca.8B11780 |
0.317 |
|
| 2019 |
Buckle EL, Prakash A, Bonomi M, Sampath J, Pfaendtner J, Drobny GP. A Solid-State NMR and MD Study of the Structure of the Statherin Mutant SNa15 on Mineral Surfaces. Journal of the American Chemical Society. PMID 30618247 DOI: 10.1021/Jacs.8B10990 |
0.771 |
|
| 2019 |
Sampath J, Pfaendtner J. Amphiphilic peptide binding on crystalline vs. amorphous silica from molecular dynamics simulations Molecular Physics. 117: 3642-3650. DOI: 10.1080/00268976.2019.1657192 |
0.769 |
|
| 2018 |
Verreault D, Alamdari S, Roeters SJ, Pandey R, Pfaendtner J, Weidner T. Ice-binding site of surface-bound type III antifreeze protein partially decoupled from water. Physical Chemistry Chemical Physics : Pccp. PMID 30260363 DOI: 10.1039/C8Cp03382J |
0.313 |
|
| 2018 |
Oleson KR, Sprenger KG, Pfaendtner J, Schwartz DT. Inhibition of the Exoglucanase CEL7A by a Douglas-fir Condensed Tannin. The Journal of Physical Chemistry. B. PMID 30111095 DOI: 10.1021/Acs.Jpcb.8B05850 |
0.328 |
|
| 2018 |
Oliveira LFL, Fu CD, Pfaendtner J. Density functional tight-binding and infrequent metadynamics can capture entropic effects in intramolecular hydrogen transfer reactions. The Journal of Chemical Physics. 148: 154101. PMID 29679963 DOI: 10.1063/1.5021359 |
0.346 |
|
| 2018 |
Mafi A, Abbina S, Kalathottukaren MT, Morrissey JH, Haynes C, Kizhakkedathu JN, Pfaendtner J, Chou KC. Design of Polyphosphate Inhibitors: a Molecular Dynamics Investigation on Polyethylene-glycol-linked Cationic Binding Groups. Biomacromolecules. PMID 29539260 DOI: 10.1021/Acs.Biomac.8B00327 |
0.366 |
|
| 2018 |
Prakash A, Baer MD, Mundy CJ, Pfaendtner J. Peptoid backbone flexibility dictates its interaction with water and surfaces: A molecular dynamics investigation. Biomacromolecules. PMID 29443506 DOI: 10.1021/Acs.Biomac.7B01813 |
0.418 |
|
| 2018 |
Sprenger KG, Plaks JG, Kaar JL, Pfaendtner J. Elucidating sequence and solvent specific design targets to protect and stabilize enzymes for biocatalysis in ionic liquids. Physical Chemistry Chemical Physics : Pccp. 19: 17426-17433. PMID 28650512 DOI: 10.1039/C7Cp03013D |
0.308 |
|
| 2017 |
Summers SR, Sprenger KG, Pfaendtner J, Marchant J, Summers MF, Kaar JL. Mechanism of Competitive Inhibition and Destabilization of Acidothermus Cellulolyticus Endoglucanase 1 by Ionic Liquids. The Journal of Physical Chemistry. B. PMID 29120187 DOI: 10.1021/Acs.Jpcb.7B08435 |
0.301 |
|
| 2017 |
Donovan MA, Lutz H, Yimer YY, Pfaendtner J, Bonn M, Weidner T. LK peptide side chain dynamics at interfaces are independent of secondary structure. Physical Chemistry Chemical Physics : Pccp. PMID 29043310 DOI: 10.1039/C7Cp05897G |
0.393 |
|
| 2017 |
Sprenger KG, Prakash A, Drobny GP, Pfaendtner J. Investigating the role of phosphorylation in the binding of silaffin peptide R5 to silica with molecular dynamics simulations. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28981294 DOI: 10.1021/Acs.Langmuir.7B02868 |
0.394 |
|
| 2017 |
Smith JK, Jiang S, Pfaendtner J. Redefining the protein-protein interface: Coarse-graining and combinatorics for an improved understanding of amino acid contributions to protein-protein binding affinity. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28850233 DOI: 10.1021/Acs.Langmuir.7B02438 |
0.314 |
|
| 2017 |
Prakash A, Sprenger KG, Pfaendtner J. Essential slow degrees of freedom in protein-surface simulations: A metadynamics investigation. Biochemical and Biophysical Research Communications. PMID 28720500 DOI: 10.1016/J.Bbrc.2017.07.066 |
0.382 |
|
| 2017 |
Lutz H, Jaeger V, Schmüser L, Bonn M, Pfaendtner J, Weidner T. The Structure of the Diatom Silaffin Peptide R5 within Freestanding Two-Dimensional Biosilica Sheets. Angewandte Chemie (International Ed. in English). PMID 28608998 DOI: 10.1002/Anie.201702707 |
0.374 |
|
| 2017 |
Smith J, Sprenger KG, Liao R, Joseph A, Nance E, Pfaendtner J. Determining dominant driving forces affecting controlled protein release from polymeric nanoparticles. Biointerphases. 12: 02D412. PMID 28525957 DOI: 10.1116/1.4983154 |
0.323 |
|
| 2017 |
Prakash A, Pfaendtner J, Chun J, Mundy CJ. Quantifying the Molecular-Scale Aqueous Response to the Mica Surface The Journal of Physical Chemistry C. 121: 18496-18504. DOI: 10.1021/Acs.Jpcc.7B03229 |
0.322 |
|
| 2017 |
Palunas K, Sprenger K, Weidner T, Pfaendtner J. Effect of an ionic liquid/air Interface on the structure and dynamics of amphiphilic peptides Journal of Molecular Liquids. 236: 404-413. DOI: 10.1016/J.Molliq.2017.04.027 |
0.374 |
|
| 2017 |
Lu H, Yimer Y, Berger R, Bonn M, Pfaendtner J, Weidner T. Surface Assembly: Thiolated Lysine-Leucine Peptides Self-Assemble into Biosilica Nucleation Pits on Gold Surfaces (Adv. Mater. Interfaces 16/2017) Advanced Materials Interfaces. 4. DOI: 10.1002/Admi.201770079 |
0.35 |
|
| 2017 |
Lu H, Yimer Y, Berger R, Bonn M, Pfaendtner J, Weidner T. Thiolated Lysine-Leucine Peptides Self-Assemble into Biosilica Nucleation Pits on Gold Surfaces Advanced Materials Interfaces. 4: 1700399. DOI: 10.1002/Admi.201700399 |
0.401 |
|
| 2016 |
Lutz H, Jaeger V, Bonn M, Pfaendtner J, Weidner T. Acetylation dictates the morphology of nanophase biosilica precipitated by a 14-amino acid leucine-lysine peptide. Journal of Peptide Science : An Official Publication of the European Peptide Society. PMID 28028919 DOI: 10.1002/Psc.2960 |
0.354 |
|
| 2016 |
Jaeger VW, Pfaendtner J. Destabilization of Human Serum Albumin by Ionic Liquids Studied Using Enhanced Molecular Dynamics Simulations. The Journal of Physical Chemistry. B. PMID 27809527 DOI: 10.1021/Acs.Jpcb.6B09410 |
0.308 |
|
| 2016 |
Beckner WA, He Y, Pfaendtner J. Chain Flexibility in Self-Assembled Monolayers Affects Protein Adsorption and Surface Hydration, a Molecular Dynamics Study. The Journal of Physical Chemistry. B. PMID 27643945 DOI: 10.1021/Acs.Jpcb.6B05882 |
0.349 |
|
| 2016 |
Sprenger KG, Pfaendtner J. Strong Electrostatic Interactions Lead to Entropically Favorable Binding of Peptides to Charged Surfaces. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 27181161 DOI: 10.1021/Acs.Langmuir.6B01296 |
0.418 |
|
| 2016 |
Donovan MA, Yimer Y, Pfaendtner J, Backus EH, Bonn M, Weidner T. Ultrafast reorientational dynamics of leucine at the air-water interface. Journal of the American Chemical Society. PMID 27057584 DOI: 10.1021/Jacs.6B01878 |
0.343 |
|
| 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 |
0.303 |
|
| 2016 |
Hough BR, Schwartz DT, Pfaendtner J. Detailed Kinetic Modeling of Lignin Pyrolysis for Process Optimization Industrial & Engineering Chemistry Research. 55: 9147-9153. DOI: 10.1021/Acs.Iecr.6B02092 |
0.31 |
|
| 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 |
0.383 |
|
| 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 |
0.348 |
|
| 2015 |
Pfaendtner J, Bonomi M. Efficient Sampling of High-Dimensional Free-Energy Landscapes with Parallel Bias Metadynamics. Journal of Chemical Theory and Computation. 11: 5062-7. PMID 26574304 DOI: 10.1021/Acs.Jctc.5B00846 |
0.303 |
|
| 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 |
0.387 |
|
| 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 |
0.317 |
|
| 2015 |
Sprenger KG, Jaeger VW, Pfaendtner J. The general AMBER force field (GAFF) can accurately predict thermodynamic and transport properties of many ionic liquids. The Journal of Physical Chemistry. B. 119: 5882-95. PMID 25853313 DOI: 10.1021/Acs.Jpcb.5B00689 |
0.316 |
|
| 2015 |
Newbloom GM, Hoffmann SM, West AF, Gile MC, Sista P, Cheung HK, Luscombe CK, Pfaendtner J, Pozzo LD. Solvatochromism and conformational changes in fully dissolved poly(3-alkylthiophene)s. Langmuir : the Acs Journal of Surfaces and Colloids. 31: 458-68. PMID 25486225 DOI: 10.1021/La503666X |
0.332 |
|
| 2015 |
Barducci A, Pfaendtner J, Bonomi M. Tackling sampling challenges in biomolecular simulations. Methods in Molecular Biology (Clifton, N.J.). 1215: 151-71. PMID 25330963 DOI: 10.1007/978-1-4939-1465-4_8 |
0.325 |
|
| 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 |
0.553 |
|
| 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 |
0.301 |
|
| 2014 |
Jarin Z, Pfaendtner J. Ionic Liquids Can Selectively Change the Conformational Free-Energy Landscape of Sugar Rings. Journal of Chemical Theory and Computation. 10: 507-10. PMID 26580028 DOI: 10.1021/Ct4010036 |
0.324 |
|
| 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 |
0.339 |
|
| 2014 |
Burney PR, White N, Pfaendtner J. Structural effects of methionine oxidation on isolated subdomains of human fibrin D and αC regions. Plos One. 9: e86981. PMID 24475207 DOI: 10.1371/Journal.Pone.0086981 |
0.328 |
|
| 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 |
0.544 |
|
| 2014 |
Burney PR, Pfaendtner J. Studying the Effects of Methionine Oxidation on Human Fibrin with Multiscale Simulations Biophysical Journal. 106: 608a-609a. DOI: 10.1016/J.Bpj.2013.11.3367 |
0.331 |
|
| 2014 |
Deighan M, Weidner T, Pfaendtner J. Structural Insights on the Statherin N-Terminal Binding Domain in the Adsorbed State Biophysical Journal. 106: 38a. DOI: 10.1016/J.Bpj.2013.11.286 |
0.395 |
|
| 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 |
0.336 |
|
| 2013 |
Deighan M, Pfaendtner J. Exhaustively sampling peptide adsorption with metadynamics. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 7999-8009. PMID 23706011 DOI: 10.1021/La4010664 |
0.389 |
|
| 2013 |
White AD, Keefe AJ, Ella-Menye JR, Nowinski AK, Shao Q, Pfaendtner J, Jiang S. Free energy of solvated salt bridges: a simulation and experimental study. The Journal of Physical Chemistry. B. 117: 7254-9. PMID 23697872 DOI: 10.1021/Jp4024469 |
0.353 |
|
| 2013 |
Jaeger VW, Pfaendtner J. Structure, dynamics, and activity of xylanase solvated in binary mixtures of ionic liquid and water. Acs Chemical Biology. 8: 1179-86. PMID 23517495 DOI: 10.1021/Cb3006837 |
0.302 |
|
| 2013 |
Burney PR, Pfaendtner J. Structural and dynamic features of Candida rugosa lipase 1 in water, octane, toluene, and ionic liquids BMIM-PF6 and BMIM-NO3. The Journal of Physical Chemistry. B. 117: 2662-70. PMID 23387335 DOI: 10.1021/Jp312299D |
0.321 |
|
| 2012 |
Deighan M, Bonomi M, Pfaendtner J. Efficient Simulation of Explicitly Solvated Proteins in the Well-Tempered Ensemble. Journal of Chemical Theory and Computation. 8: 2189-92. PMID 26588950 DOI: 10.1021/Ct300297T |
0.328 |
|
| 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 |
0.362 |
|
| 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 |
0.315 |
|
| 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 |
0.342 |
|
| 2010 |
Pfaendtner J, Voth GA. Simulation Reveals Fundamental Behavior of the Actin Filament and Arp2/3 Branch Junction Biophysical Journal. 98: 556a. DOI: 10.1016/J.Bpj.2009.12.3013 |
0.332 |
|
| 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 |
0.33 |
|
| 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 |
0.326 |
|
| 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 |
0.331 |
|
| 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 |
0.333 |
|
| 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 |
0.314 |
|
| 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 |
0.665 |
|
| 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 |
0.525 |
|
| 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 |
0.533 |
|
| 2008 |
Broadbelt LJ, Pfaendtner J. Mechanistic modeling of lubricant degradation: The autoxidation of alkanes Acs National Meeting Book of Abstracts. |
0.424 |
|
| 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 |
0.531 |
|
| 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 |
0.528 |
|
| 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 |
0.665 |
|
| 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 |
0.674 |
|
| 2005 |
Broadbelt LJ, Pfaendtner J. Lexicography of kinetic modeling of complex reaction networks Aiche Journal. 51: 2112-2121. DOI: 10.1002/Aic.10599 |
0.494 |
|
| 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. |
0.427 |
|
| 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. |
0.422 |
|
| Low-probability matches (unlikely to be authored by this person) |
| 2017 |
Tan S, Xia T, Shi Y, Pfaendtner J, Zhao S, He Y. Enhancing the Oxidation of Toluene with External Electric Fields: a Reactive Molecular Dynamics Study. Scientific Reports. 7: 1710. PMID 28490798 DOI: 10.1038/S41598-017-01945-4 |
0.3 |
|
| 2016 |
Krumm C, Pfaendtner J, Dauenhauer PJ. Millisecond Pulsed Films Unify the Mechanisms of Cellulose Fragmentation Chemistry of Materials. 28: 3108-3114. DOI: 10.1021/Acs.Chemmater.6B00580 |
0.299 |
|
| 2015 |
Jaeger V, Burney P, Pfaendtner J. Comparison of three ionic liquid-tolerant cellulases by molecular dynamics. Biophysical Journal. 108: 880-92. PMID 25692593 DOI: 10.1016/J.Bpj.2014.12.043 |
0.297 |
|
| 2020 |
Beckner W, Ashraf CM, Lee J, Beck DAC, Pfaendtner J. Continuous Molecular Representations of Ionic Liquids. The Journal of Physical Chemistry. B. PMID 32833453 DOI: 10.1021/Acs.Jpcb.0C05938 |
0.288 |
|
| 2015 |
Burney PR, Nordwald EM, Hickman K, Kaar JL, Pfaendtner J. Molecular dynamics investigation of the ionic liquid/enzyme interface: application to engineering enzyme surface charge. Proteins. 83: 670-80. PMID 25641162 DOI: 10.1002/Prot.24757 |
0.287 |
|
| 2019 |
Smith J, McMullen P, Yuan Z, Jiang S, Pfaendtner J. Designing Superhydrophilic, Disordered Peptides to Improve the Stability and Efficacy of Protein Therapeutics Biophysical Journal. 116: 182a. DOI: 10.1016/J.Bpj.2018.11.1014 |
0.287 |
|
| 2017 |
Lutz H, Jaeger V, Schmüser L, Bonn M, Pfaendtner J, Weidner T. Die Struktur des Silaffin-Peptids R5 aus Diatomeen in freistehenden zweidimensionalen Biosilikatwänden Angewandte Chemie. 129: 8390-8394. DOI: 10.1002/Ange.201702707 |
0.286 |
|
| 2019 |
Beckner W, Pfaendtner J. Fantastic Liquids and Where To Find Them: Optimizations of Discrete Chemical Space. Journal of Chemical Information and Modeling. PMID 30974059 DOI: 10.1021/Acs.Jcim.9B00087 |
0.285 |
|
| 2018 |
Fu CD, Pfaendtner J. Lifting the Curse of Dimensionality on Enhanced Sampling of Reaction Networks with Parallel Bias Metadynamics. Journal of Chemical Theory and Computation. PMID 29608848 DOI: 10.1021/Acs.Jctc.7B01289 |
0.284 |
|
| 2019 |
Li B, Jain P, Ma J, Smith JK, Yuan Z, Hung HC, He Y, Lin X, Wu K, Pfaendtner J, Jiang S. Trimethylamine -oxide-derived zwitterionic polymers: A new class of ultralow fouling bioinspired materials. Science Advances. 5: eaaw9562. PMID 31214655 DOI: 10.1126/Sciadv.Aaw9562 |
0.282 |
|
| 2017 |
Fu CD, L Oliveira LF, Pfaendtner J. Determining energy barriers and selectivities of a multi-pathway system with infrequent metadynamics. The Journal of Chemical Physics. 146: 014108. PMID 28063430 DOI: 10.1063/1.4971800 |
0.28 |
|
| 2017 |
Fu CD, Oliveira LF, Pfaendtner J. Assessing Generic Collective Variables for Determining Reaction Rates in Metadynamics Simulations. Journal of Chemical Theory and Computation. PMID 28212010 DOI: 10.1021/Acs.Jctc.7B00038 |
0.279 |
|
| 2018 |
Prakash A, Fu CD, Bonomi M, Pfaendtner J. Biasing Smarter, Not Harder, By Partitioning Collective Variables Into Families in Parallel Bias Metadynamics. Journal of Chemical Theory and Computation. PMID 30075630 DOI: 10.1021/Acs.Jctc.8B00448 |
0.276 |
|
| 2017 |
Hough BR, Beck DA, Schwartz DT, Pfaendtner J. Application of machine learning to pyrolysis reaction networks: Reducing model solution time to enable process optimization Computers & Chemical Engineering. 104: 56-63. DOI: 10.1016/J.Compchemeng.2017.04.012 |
0.273 |
|
| 2016 |
Sprenger KG, Pfaendtner J. Using Molecular Simulation to Study Biocatalysis in Ionic Liquids. Methods in Enzymology. 577: 419-41. PMID 27498647 DOI: 10.1016/Bs.Mie.2016.05.020 |
0.273 |
|
| 2023 |
Alamdari S, Torkelson K, Wang X, Chen CL, Ferguson AL, Pfaendtner J. Thermodynamic Basis for the Stabilization of Helical Peptoids by Chiral Sidechains. The Journal of Physical Chemistry. B. PMID 37379071 DOI: 10.1021/acs.jpcb.3c01913 |
0.271 |
|
| 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 |
0.268 |
|
| 2019 |
Pfaendtner J, Snurr RQ, Van Speybroeck V. Editorial overview: Frontiers of chemical engineering: Molecular modeling Current Opinion in Chemical Engineering. 23: A1-A2. DOI: 10.1016/J.Coche.2019.06.001 |
0.268 |
|
| 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 |
0.265 |
|
| 2016 |
Pandey R, Usui K, Livingstone RA, Fischer SA, Pfaendtner J, Backus EH, Nagata Y, Fröhlich-Nowoisky J, Schmüser L, Mauri S, Scheel JF, Knopf DA, Pöschl U, Bonn M, Weidner T. Ice-nucleating bacteria control the order and dynamics of interfacial water. Science Advances. 2: e1501630. PMID 27152346 DOI: 10.1126/Sciadv.1501630 |
0.265 |
|
| 2013 |
White NJ, Wang Y, Burney P, Fu X, López JA, Pfaendtner J, Chung D. Coagulopathy In Trauma Patients Is Accompanied By Oxidation Of a Methionine Residue In The αC Domain Of Fibrinogen and Abnormal Fibrin Polymerization Blood. 122: 1097-1097. DOI: 10.1182/Blood.V122.21.1097.1097 |
0.263 |
|
| 2023 |
Zhao M, Zhang S, Zheng R, Alamdari S, Mundy CJ, Pfaendtner J, Pozzo LD, Chen CL, De Yoreo JJ, Ferguson AL. Computational and Experimental Determination of the Properties, Structure, and Stability of Peptoid Nanosheets and Nanotubes. Biomacromolecules. PMID 37141445 DOI: 10.1021/acs.biomac.3c00107 |
0.26 |
|
| 2022 |
Qi X, Jin B, Cai B, Yan F, De Yoreo J, Chen CL, Pfaendtner J. Molecular Driving Force for Facet Selectivity of Sequence-Defined Amphiphilic Peptoids at Au-Water Interfaces. The Journal of Physical Chemistry. B. PMID 35763341 DOI: 10.1021/acs.jpcb.2c02638 |
0.253 |
|
| 2022 |
Alberstein RG, Prelesnik JL, Nakouzi E, Zhang S, De Yoreo JJ, Pfaendtner J, Tezcan FA, Mundy CJ. Discrete Orientations of Interfacial Waters Direct Crystallization of Mica-Binding Proteins. The Journal of Physical Chemistry Letters. 14: 80-87. PMID 36573690 DOI: 10.1021/acs.jpclett.2c02948 |
0.251 |
|
| 2022 |
Hare SR, Pfaendtner J. Elucidating the role of catalytic amino acid residues in the peptide-mediated silica oligomerization reaction mechanism. Physical Chemistry Chemical Physics : Pccp. PMID 35080220 DOI: 10.1039/d1cp04542c |
0.245 |
|
| 2012 |
Deighan M, Englund P, Pfaendtner J. Adsorption of model peptides and the carbohydrate binding module: An enhanced sampling molecular dynamics study Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings. |
0.244 |
|
| 2019 |
Xie S, Jia C, Prakash A, Palafox MI, Pfaendtner J, Lin H. Generic Biphasic Catalytic Approach for Producing Renewable Diesel from Fatty Acids and Vegetable Oils Acs Catalysis. 9: 3753-3763. DOI: 10.1021/Acscatal.9B00215 |
0.242 |
|
| 2021 |
Sprenger K, Roeters SJ, Mauri S, Mertig R, Nishiyama Y, Pfaendtner J, Weidner T. Direct Evidence for Aligned Binding of Cellulase Enzymes to Cellulose Surfaces. The Journal of Physical Chemistry Letters. 12: 10684-10688. PMID 34709817 DOI: 10.1021/acs.jpclett.1c02757 |
0.24 |
|
| 2020 |
Summers S, Kraft C, Alamdari S, Pfaendtner J, Kaar JL. Enhanced Activity and Stability of Acidothermus cellulolyticus Endoglucanase 1 in IonicLiquids via Engineering Active Site Residues and Non-Native DisulfideBridges Acs Sustainable Chemistry & Engineering. 8: 11299-11307. DOI: 10.1021/Acssuschemeng.0C03242 |
0.236 |
|
| 2007 |
Siniawski MT, Saniei N, Pfaendtner J. Tribological degradation of two vegetable-based lubricants at elevated temperatures Journal of Synthetic Lubrication. 24: 167-179. DOI: 10.1002/Jsl.38 |
0.235 |
|
| 2021 |
Prelesnik JL, Alberstein RG, Zhang S, Pyles H, Baker D, Pfaendtner J, De Yoreo JJ, Tezcan FA, Remsing RC, Mundy CJ. Ion-dependent protein-surface interactions from intrinsic solvent response. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34172582 DOI: 10.1073/pnas.2025121118 |
0.225 |
|
| 2023 |
Strunge K, Burgin T, Golbek TW, Roeters SJ, Pfaendtner J, Weidner T. Umbrella-like Helical Structure of α-Synuclein at the Air-Water Interface Observed with Experimental and Theoretical Sum Frequency Generation Spectroscopy. The Journal of Physical Chemistry Letters. 11030-11035. PMID 38047768 DOI: 10.1021/acs.jpclett.3c02543 |
0.222 |
|
| 2014 |
Paulsen AD, Hough BR, Williams CL, Teixeira AR, Schwartz DT, Pfaendtner J, Dauenhauer PJ. Inside Cover Picture: Fast Pyrolysis of Wood for Biofuels: Spatiotemporally Resolved Diffuse Reflectance In situ Spectroscopy of Particles (ChemSusChem 3/2014) Chemsuschem. 7: 652-652. DOI: 10.1002/Cssc.201490010 |
0.219 |
|
| 2020 |
Ziatdinov M, Zhang S, Dollar O, Pfaendtner J, Mundy CJ, Li X, Pyles H, Baker D, De Yoreo JJ, Kalinin SV. Quantifying the Dynamics of Protein Self-Organization Using Deep Learning Analysis of Atomic Force Microscopy Data. Nano Letters. PMID 33306401 DOI: 10.1021/acs.nanolett.0c03447 |
0.218 |
|
| 2020 |
Alamdari S, Pfaendtner J. Impact of Glutamate Carboxylation in the Adsorption of the α-1 Domain of Osteocalcin to Hydroxyapatite and Titania. Molecular Systems Design & Engineering. 5: 620-631. PMID 33791109 DOI: 10.1039/c9me00158a |
0.215 |
|
| 2022 |
Qi X, Zhao Y, Lachowski K, Boese J, Cai Y, Dollar O, Hellner B, Pozzo L, Pfaendtner J, Chun J, Baneyx F, Mundy CJ. Predictive Theoretical Framework for Dynamic Control of Bioinspired Hybrid Nanoparticle Self-Assembly. Acs Nano. PMID 35073061 DOI: 10.1021/acsnano.1c04923 |
0.213 |
|
| 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 |
0.213 |
|
| 2022 |
Strunge K, Hoinkis N, Lutz H, Alamdari S, Roeters SJ, Lu H, Pfaendtner J, Weidner T. Peptide Mimic of the Marine Sponge Protein Silicatein Fabricates Ultrathin Nanosheets of Silicon Dioxide and Titanium Dioxide. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 35727216 DOI: 10.1021/acs.langmuir.2c00918 |
0.207 |
|
| 2022 |
Yang W, Zhou Y, Jin B, Qi X, Cai B, Yin Q, Pfaendtner J, De Yoreo JJ, Chen CL. Designing sequence-defined peptoids for fibrillar self-assembly and silicification. Journal of Colloid and Interface Science. 634: 450-459. PMID 36542974 DOI: 10.1016/j.jcis.2022.11.136 |
0.204 |
|
| 2022 |
Shao L, Ma J, Prelesnik JL, Zhou Y, Nguyen M, Zhao M, Jenekhe SA, Kalinin SV, Ferguson AL, Pfaendtner J, Mundy CJ, De Yoreo JJ, Baneyx F, Chen CL. Hierarchical Materials from High Information Content Macromolecular Building Blocks: Construction, Dynamic Interventions, and Prediction. Chemical Reviews. PMID 36260695 DOI: 10.1021/acs.chemrev.2c00220 |
0.202 |
|
| 2021 |
Rustam S, Intan NN, Pfaendtner J. Effect of graphitic anode surface functionalization on the structure and dynamics of electrolytes at the interface. The Journal of Chemical Physics. 155: 134702. PMID 34624985 DOI: 10.1063/5.0066268 |
0.198 |
|
| 2023 |
Intan NN, Pfaendtner J. Role of Surface Features on the Initial Dissolution of CHNHPbI Perovskite in Liquid Water: An Ab Initio Molecular Dynamics Study. Acs Nano. PMID 37943082 DOI: 10.1021/acsnano.3c04601 |
0.198 |
|
| 2020 |
Gibson LD, Pfaendtner J. Solvent oligomerization pathways facilitated by electrolyte additives during solid-electrolyte interphase formation. Physical Chemistry Chemical Physics : Pccp. PMID 32954392 DOI: 10.1039/d0cp03286g |
0.198 |
|
| 2016 |
Tung H, Pfaendtner J. Kinetics and mechanism of ionic-liquid induced protein unfolding: application to the model protein HP35 Molecular Systems Design & Engineering. 1: 382-390. DOI: 10.1039/C6ME00047A |
0.197 |
|
| 2021 |
Ludwig J, Smith J, Pfaendtner J. Analyzing the Long Time-Scale Dynamics of Uremic Toxins Bound to Sudlow Site II in Human Serum Albumin. The Journal of Physical Chemistry. B. PMID 33715376 DOI: 10.1021/acs.jpcb.1c00221 |
0.195 |
|
| 2023 |
Lachowski KJ, Chiang HT, Torkelson K, Zhou W, Zhang S, Pfaendtner J, Pozzo LD. Anisotropic Gold Nanomaterial Synthesis Using Peptide Facet Specificity and Timed Intervention. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 37910774 DOI: 10.1021/acs.langmuir.3c01577 |
0.19 |
|
| 2023 |
Alamdari S, Pfaendtner J. Origins of Conformational Heterogeneity in Peptoid Helices Formed by Chiral -1-Phenylethyl Sidechains. The Journal of Physical Chemistry. B. 127: 6163-6170. PMID 37379075 DOI: 10.1021/acs.jpcb.3c02576 |
0.18 |
|
| 2022 |
Nyambura CW, Nance E, Pfaendtner J. Examining the Effect of Polymer Extension on Protein-Polymer Interactions That Occur during Formulation of Protein-Loaded Poly(lactic acid-co-glycolic acid)-polyethylene Glycol Nanoparticles. Polymers. 14. PMID 36365724 DOI: 10.3390/polym14214730 |
0.175 |
|
| 2022 |
Rustam S, Schram M, Lu Z, Chaka AM, Rosenthal WS, Pfaendtner J. Optimization of Thermal Conductance at Interfaces Using Machine Learning Algorithms. Acs Applied Materials & Interfaces. PMID 35802814 DOI: 10.1021/acsami.1c23222 |
0.173 |
|
| 2021 |
Gibson LD, Pfaendtner J, Mundy CJ. Probing the thermodynamics and kinetics of ethylene carbonate reduction at the electrode-electrolyte interface with molecular simulations. The Journal of Chemical Physics. 155: 204703. PMID 34852482 DOI: 10.1063/5.0067687 |
0.171 |
|
| 2022 |
Burgin T, Pfaendtner J, Beck DAC. Quick and Accurate Estimates of Mutation Effects on Transition-State Stabilization of Enzymes from Molecular Simulations with Restrained Transition States. The Journal of Physical Chemistry. B. PMID 36413982 DOI: 10.1021/acs.jpcb.2c04802 |
0.169 |
|
| 2021 |
Intan NN, Pfaendtner J. Effect of Fluoroethylene Carbonate Additives on the Initial Formation of the Solid Electrolyte Interphase on an Oxygen-Functionalized Graphitic Anode in Lithium-Ion Batteries. Acs Applied Materials & Interfaces. PMID 33587593 DOI: 10.1021/acsami.0c18414 |
0.163 |
|
| 2012 |
Jaeger V, Pfaendtner J. Simulations of biomolecules in nonaqueous solvents Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings. |
0.158 |
|
| 2023 |
Dollar O, Joshi N, Pfaendtner J, Beck DAC. Efficient 3D Molecular Design with an E(3) Invariant Transformer VAE. The Journal of Physical Chemistry. A. PMID 37670244 DOI: 10.1021/acs.jpca.3c04188 |
0.153 |
|
| 2012 |
Deighan M, Bonomi M, Pfaendtner J. Efficient simulation of explicitly solvated proteins in the well-tempered ensemble Journal of Chemical Theory and Computation. 8: 2189-2192. DOI: 10.1021/ct300297t |
0.148 |
|
| 2022 |
Jin B, Yan F, Qi X, Cai B, Tao J, Fu X, Tan S, Zhang P, Pfaendtner J, Naser NY, Baneyx F, Zhang X, DeYoreo JJ, Chen CL. Peptoid-Directed Formation of Five-Fold Twinned Au Nanostars through Particle Attachment and Facet Stabilization. Angewandte Chemie (International Ed. in English). PMID 35167709 DOI: 10.1002/anie.202201980 |
0.148 |
|
| 2021 |
Ashraf C, Joshi N, Beck DAC, Pfaendtner J. Data Science in Chemical Engineering: Applications to Molecular Science. Annual Review of Chemical and Biomolecular Engineering. PMID 33710940 DOI: 10.1146/annurev-chembioeng-101220-102232 |
0.146 |
|
| 2021 |
Roeters SJ, Golbek TW, Bregnhøj M, Drace T, Alamdari S, Roseboom W, Kramer G, Šantl-Temkiv T, Finster K, Pfaendtner J, Woutersen S, Boesen T, Weidner T. Ice-nucleating proteins are activated by low temperatures to control the structure of interfacial water. Nature Communications. 12: 1183. PMID 33608518 DOI: 10.1038/s41467-021-21349-3 |
0.134 |
|
| 2021 |
Summers SR, Alamdari S, Kraft CJ, Brunecky R, Pfaendtner J, Kaar JL. Substitution of distal and active site residues reduces product inhibition of E1 from Acidothermus Cellulolyticus. Protein Engineering, Design & Selection : Peds. 34. PMID 34935952 DOI: 10.1093/protein/gzab031 |
0.134 |
|
| 2024 |
Zorman M, Phillips C, Shi C, Zhang S, De Yoreo J, Pfaendtner J. Thermodynamic Analysis of Silk Fibroin-Graphite Hybrid Materials and Their Morphology. The Journal of Physical Chemistry. B. PMID 38421229 DOI: 10.1021/acs.jpcb.3c08147 |
0.12 |
|
| 2013 |
Jaeger V, Pfaendtner J. A molecular dynamics study of the effects of ionic liquids on human serum albumin Computational Molecular Science and Engineering Forum 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 84. |
0.118 |
|
| 2012 |
Fleming K, Pfaendtner J. QM/MM metadynamics analysis of reaction thermochemistry and kinetics for biomass processing Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings. |
0.116 |
|
| 2021 |
Dollar O, Joshi N, Beck DAC, Pfaendtner J. Attention-based generative models for molecular design. Chemical Science. 12: 8362-8372. PMID 34221317 DOI: 10.1039/d1sc01050f |
0.113 |
|
| 2008 |
Pfaendtner J. Multiscale biophysics: Theory and application to the dynamics of actin and actin-related structures Aiche Annual Meeting, Conference Proceedings. |
0.109 |
|
| 1999 |
Ishikawa S, Pfaendtner JA, McMahon CJ. The effect of boron on stress-relief cracking of alloy steels Materials Science and Engineering A. 272: 16-23. DOI: 10.1016/S0921-5093(99)00457-8 |
0.109 |
|
| 1993 |
Tsing-Chang Chen, Ming-Cheng Yen, Pfaendtner J, Sud YC. The vertical structure of diabatic heating associated with the Madden-Julian oscillation simulated by the Goddard Laboratory for Atmospheres climate model Journal of Geophysical Research. 98: 8801-8813. |
0.105 |
|
| 2014 |
Jarin Z, Pfaendtner J. Ionic liquids can selectively change the conformational free-energy landscape of sugar rings Journal of Chemical Theory and Computation. 10: 507-510. DOI: 10.1021/ct4010036 |
0.103 |
|
| 2018 |
Beckner W, Mao CM, Pfaendtner J. Statistical models are able to predict ionic liquid viscosity across a wide range of chemical functionalities and experimental conditions Molecular Systems Design & Engineering. 3: 253-263. DOI: 10.1039/C7ME00094D |
0.103 |
|
| 2021 |
Joseph A, Nyambura CW, Bondurant D, Corry K, Beebout D, Wood TR, Pfaendtner J, Nance E. Formulation and Efficacy of Catalase-Loaded Nanoparticles for the Treatment of Neonatal Hypoxic-Ischemic Encephalopathy. Pharmaceutics. 13. PMID 34452092 DOI: 10.3390/pharmaceutics13081131 |
0.101 |
|
| 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 |
0.095 |
|
| 2004 |
Mumm DR, Watanabe M, Evans AG, Pfaendtner JA. The influence of test method on failure mechanisms and durability of a thermal barrier system Acta Materialia. 52: 1123-1131. DOI: 10.1016/J.Actamat.2003.10.045 |
0.091 |
|
| 2012 |
Jaeger V, Pfaendtner J. Enzymatic hydrolysis of cellulosic biomass in nonaqueous solvents Aiche 2012 - 2012 Aiche Annual Meeting, Conference Proceedings. |
0.088 |
|
| 1997 |
Muthiah RC, Pfaendtner JA, McMahon CJ, Lejcek P, Paidar V. Study of dynamic embrittlement in alloy bicrystals Materials Research Society Symposium - Proceedings. 458: 289-294. |
0.083 |
|
| 1996 |
Tsing-Chang Chen, Ming-Cheng Yen, Pfaendtner J, Sud YC. Annual variation of the global precipitable water and its maintenance: observation and climate-simulation Tellus, Series A. 48: 1-16. |
0.083 |
|
| 2005 |
Pfaendtner J, Wang QJ, Broadbelt L. Design of new lubricant formulations through mechanistic modeling Aiche Annual Meeting, Conference Proceedings. 10633. |
0.083 |
|
| 2020 |
Alamdari S, Pfaendtner J. Impact of glutamate carboxylation in the adsorption of the α-1 domain of osteocalcin to hydroxyapatite and titania Molecular Systems Design & Engineering. 5: 620-631. DOI: 10.1039/c9me00158a |
0.081 |
|
| 2001 |
Pfaendtner JA, McMahon C.J. J. Dynamic embrittlement in alloy 718 Proceedings of the International Symposium On Superalloys and Various Derivatives. 1: 701-707. |
0.079 |
|
| 2008 |
Pfaendtner J, Branduardi D, Parrinello M, Voth GA. Multiscale investigation of nucleotide effects in actin structures Aiche Annual Meeting, Conference Proceedings. |
0.078 |
|
| 1986 |
Bauer H, Heise E, Pfaendtner J, Renner V. Development of an economical soil model for climate simulation. Current Issues in Climate Research. Proc. Ec Climatology Programme Symposium, Sophia Antipolis, 1984. 219-226. |
0.072 |
|
| 2001 |
Pfaendtner JA, McMahon JJ. Oxygen-induced intergranular cracking of a Ni-base alloy at elevated temperatures - An example of dynamic embrittlement Acta Materialia. 49: 3369-3377. DOI: 10.1016/S1359-6454(01)00005-2 |
0.07 |
|
| 1999 |
Muthiah RC, Pfaendtner JA, Ishikawa S, McMahon CJ. Tin-induced dynamic embrittlement of Cu-7% Sn bicrystals with a Σ5 boundary Acta Materialia. 47: 2797-2808. DOI: 10.1016/S1359-6454(99)00117-2 |
0.062 |
|
| 1995 |
McMahon CJ, Pfaendtner JA, Muthiah RC. Quasi-static intergranular brittle fracture: Dynamic embrittlement Czechoslovak Journal of Physics. 45: 965-978. DOI: 10.1007/Bf01692013 |
0.062 |
|
| 1997 |
Muthiah RC, Pfaendtner JA, McMahon CJ, Xu Y, Bassani JL. A study of dynamic embrittlement in bicrystals of Cu-7%Sn Materials Science and Engineering A. 234: 1033-1036. DOI: 10.1016/S0921-5093(97)00413-9 |
0.056 |
|
| 1995 |
Bika D, Pfaendtner JA, Menyhard M, Mcmahon CJ. Sulfur-induced dynamic embrittlement in a low-alloy steel Acta Metallurgica Et Materialia. 43: 1895-1908. DOI: 10.1016/0956-7151(94)00388-X |
0.054 |
|
| 2013 |
Paulsen AD, Hough B, Schartz D, Pfaendtner J, Dauenhauer PJ. Spatio-temporal carbohydrate characterization of wood particles during fast pyrolysis Fuels and Petrochemicals Division 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 215. |
0.054 |
|
| 1990 |
Tsing-Chang Chen, Pfaendtner J, Jau-Ming Chen. The effect of horizontal resolution on systematic errors of the GLA forecast model Monthly Weather Review. 118: 1371-1378. |
0.049 |
|
| 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. |
0.039 |
|
| 2023 |
Alexandrova AN, Biteen JS, Coriani S, Geiger FM, Gewirth AA, Goward GR, Guo H, Huang L, Li JF, Liedl T, Link S, Liu ZP, Maiti S, Orr-Ewing AJ, Osborn DL, ... Pfaendtner J, et al. Early-Career and Emerging Researchers in Physical Chemistry Volume 2. The Journal of Physical Chemistry. B. 127: 9211-9214. PMID 37915223 DOI: 10.1021/acs.jpcb.3c06596 |
0.033 |
|
| 2023 |
Alexandrova AN, Biteen JS, Coriani S, Geiger FM, Gewirth AA, Goward GR, Guo H, Huang L, Li JF, Liedl T, Link S, Liu ZP, Maiti S, Orr-Ewing AJ, Osborn DL, ... Pfaendtner J, et al. Early-Career and Emerging Researchers in Physical Chemistry Volume 2. The Journal of Physical Chemistry. A. 127: 8967-8970. PMID 37915218 DOI: 10.1021/acs.jpca.3c06595 |
0.033 |
|
| 1999 |
Pfaendtner JA, Muthiah RC, Liu CT, McMahon CJ. Time-dependent interfacial failure in metallic alloys Materials Science and Engineering A. 260: 1-11. |
0.027 |
|
| 2020 |
Ferguson AL, Hachmann J, Miller TF, Pfaendtner J. // Virtual Special Issue on Machine Learning in Physical Chemistry. The Journal of Physical Chemistry. B. 124: 9767-9772. PMID 33147970 DOI: 10.1021/acs.jpcb.0c09206 |
0.027 |
|
| 2020 |
Ferguson AL, Hachmann J, Miller TF, Pfaendtner J. // Virtual Special Issue on Machine Learning in Physical Chemistry. The Journal of Physical Chemistry. A. 124: 9113-9118. PMID 33147969 DOI: 10.1021/acs.jpca.0c09205 |
0.027 |
|
| 1995 |
Tsing-Chang Chen, Jau-Ming Chen, Pfaendtner J. Low-frequency variations in the atmospheric branch of the global hydrological cycle Journal of Climate. 8: 92-107. |
0.023 |
|
| 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. |
0.023 |
|
| 1996 |
Chen TC, Yen MC, Pfaendtner J, Sud YC. A complementary depiction of the interannual variation of atmospheric circulation associated with ENSO events Atmosphere - Ocean. 34: 417-433. |
0.023 |
|
| 2023 |
Ferguson AL, Pfaendtner J. Characteristics of Impactful Machine Learning Contributions to . The Journal of Physical Chemistry. B. 127: 427-429. PMID 36655364 DOI: 10.1021/acs.jpcb.2c08703 |
0.021 |
|
| 2023 |
Ferguson AL, Pfaendtner J. Characteristics of Impactful Machine Learning Contributions to . The Journal of Physical Chemistry. A. 127: 415-417. PMID 36630719 DOI: 10.1021/acs.jpca.2c08702 |
0.021 |
|
| 2008 |
Siniawski M, Saniei N, Pfaendtner J. Thermal degradation of soybean and sunflower oils 2007 Proceedings of the Asme/Stle International Joint Tribology Conference, Ijtc 2007. 75-76. DOI: 10.1115/IJTC2007-44032 |
0.021 |
|
| 1997 |
Sienkiewtcz ME, Pfaendtner J. Assimilation variability in the GEOS-1 data assimilation system Monthly Weather Review. 125: 560-571. |
0.021 |
|
| 1984 |
Pfaendtner J. A user friendly operating system for the GLAS 4th order forecast- analysis system. Research Review, 1983, (Us Nasa, Goddard Space Flight Center, Greenbelt, Md; Nasa-Tm-86053). 113-118. |
0.019 |
|
| 1994 |
Tsing-Chang Chen, Pfaendtner J, Su-Ping Weng. Aspects of the hydrological cycle of the ocean-atmosphere system Journal of Physical Oceanography. 24: 1827-1833. |
0.016 |
|
| 2023 |
Ferguson AL, Pfaendtner J. Virtual Special Issue on ─ Call for Papers. The Journal of Physical Chemistry. B. 127: 2287-2288. PMID 36898056 DOI: 10.1021/acs.jpcb.3c01571 |
0.014 |
|
| 2023 |
Ferguson AL, Pfaendtner J. Virtual Special Issue on ─ Call for Papers. The Journal of Physical Chemistry. A. 127: 2415-2416. PMID 36898051 DOI: 10.1021/acs.jpca.3c01570 |
0.014 |
|
| 1992 |
Schoebert M, Pfaendtner J, Rood R, Thompson A, Wielicki B. Atmospheres panel report to the payload panel Global and Planetary Change. 6: 9-23. |
0.012 |
|
| 1999 |
Pfaendtner JA, Muthiah RC, McMahon CJ. Quasi-static brittle fracture Materials Research Society Symposium - Proceedings. 539: 313-318. |
0.012 |
|
| 1999 |
Pfaendtner JA, McMahon CJ. Oxygen-induced intergranular decohesion in IN718 Materials Science Forum. 294: 743-746. |
0.011 |
|
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