Year |
Citation |
Score |
2015 |
Bennion BJ, Essiz SG, Lau EY, Fattebert JL, Emigh A, Lightstone FC. A wrench in the works of human acetylcholinesterase: soman induced conformational changes revealed by molecular dynamics simulations. Plos One. 10: e0121092. PMID 25874456 DOI: 10.1371/journal.pone.0121092 |
0.389 |
|
2007 |
Beck DA, Bennion BJ, Alonso DO, Daggett V. Simulations of macromolecules in protective and denaturing osmolytes: properties of mixed solvent systems and their effects on water and protein structure and dynamics. Methods in Enzymology. 428: 373-96. PMID 17875430 DOI: 10.1016/S0076-6879(07)28022-X |
0.627 |
|
2006 |
Rutherford K, Bennion BJ, Parson WW, Daggett V. The 108M polymorph of human catechol O-methyltransferase is prone to deformation at physiological temperatures. Biochemistry. 45: 2178-88. PMID 16475806 DOI: 10.1021/Bi051988I |
0.518 |
|
2004 |
Bennion BJ, DeMarco ML, Daggett V. Preventing misfolding of the prion protein by trimethylamine N-oxide. Biochemistry. 43: 12955-63. PMID 15476389 DOI: 10.1021/Bi0486379 |
0.609 |
|
2004 |
Bennion BJ, Daggett V. Counteraction of urea-induced protein denaturation by trimethylamine N-oxide: a chemical chaperone at atomic resolution. Proceedings of the National Academy of Sciences of the United States of America. 101: 6433-8. PMID 15096583 DOI: 10.1073/Pnas.0308633101 |
0.632 |
|
2003 |
Bennion BJ, Daggett V. The molecular basis for the chemical denaturation of proteins by urea Proceedings of the National Academy of Sciences of the United States of America. 100: 5142-5147. PMID 12702764 DOI: 10.1073/Pnas.0930122100 |
0.668 |
|
2002 |
Bennion BJ, Daggett V. Protein conformation and diagnostic tests: the prion protein. Clinical Chemistry. 48: 2105-14. PMID 12446465 DOI: 10.1093/Clinchem/48.12.2105 |
0.56 |
|
2002 |
Day R, Bennion BJ, Ham S, Daggett V. Increasing temperature accelerates protein unfolding without changing the pathway of unfolding Journal of Molecular Biology. 322: 189-203. PMID 12215424 DOI: 10.1016/S0022-2836(02)00672-1 |
0.582 |
|
2002 |
Zou Q, Bennion BJ, Daggett V, Murphy KP. The molecular mechanism of stabilization of proteins by TMAO and its ability to counteract the effects of urea. Journal of the American Chemical Society. 124: 1192-202. PMID 11841287 DOI: 10.1021/Ja004206B |
0.624 |
|
2001 |
Li B, Alonso DOV, Bennion BJ, Daggett V. Hydrophobic hydration is an important source of elasticity in elastin-based biopolymers Journal of the American Chemical Society. 123: 11991-11998. PMID 11724607 DOI: 10.1021/Ja010363E |
0.575 |
|
Low-probability matches (unlikely to be authored by this person) |
2021 |
Lau EY, Negrete OA, Bennett WFD, Bennion BJ, Borucki M, Bourguet F, Epstein A, Franco M, Harmon B, He S, Jones D, Kim H, Kirshner D, Lao V, Lo J, et al. Discovery of Small-Molecule Inhibitors of SARS-CoV-2 Proteins Using a Computational and Experimental Pipeline. Frontiers in Molecular Biosciences. 8: 678701. PMID 34327214 DOI: 10.3389/fmolb.2021.678701 |
0.264 |
|
2023 |
Stevenson GA, Kirshner D, Bennion BJ, Yang Y, Zhang X, Zemla A, Torres MW, Epstein A, Jones D, Kim H, Bennett WFD, Wong SE, Allen JE, Lightstone FC. Clustering Protein Binding Pockets and Identifying Potential Drug Interactions: A Novel Ligand-Based Featurization Method. Journal of Chemical Information and Modeling. PMID 37847557 DOI: 10.1021/acs.jcim.3c00722 |
0.256 |
|
2015 |
Fattebert JL, Lau EY, Bennion BJ, Huang P, Lightstone FC. Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase Catalysis. Journal of Chemical Theory and Computation. 11: 5688-95. PMID 26642985 DOI: 10.1021/Acs.Jctc.5B00606 |
0.245 |
|
2016 |
Ramalho TC, de Castro AA, Silva DR, Silva MC, França TC, Bennion BJ, Kuca K. Computational Enzymology and Organophosphorus Degrading Enzymes: Promising Approaches toward Remediation Technologies of Warfare Agents and Pesticides. Current Medicinal Chemistry. PMID 26898655 DOI: 10.2174/0929867323666160222113504 |
0.174 |
|
2014 |
LaBute MX, Zhang X, Lenderman J, Bennion BJ, Wong SE, Lightstone FC. Adverse drug reaction prediction using scores produced by large-scale drug-protein target docking on high-performance computing machines. Plos One. 9: e106298. PMID 25191698 DOI: 10.1371/Journal.Pone.0106298 |
0.172 |
|
2013 |
Sepsova V, Karasova JZ, Korabecny J, Dolezal R, Zemek F, Bennion BJ, Kuca K. Oximes: Inhibitors of human recombinant acetylcholinesterase. A structure-activity relationship (SAR) study International Journal of Molecular Sciences. 14: 16882-16900. PMID 23959117 DOI: 10.3390/ijms140816882 |
0.16 |
|
2015 |
Hau-Riege SP, Bennion BJ. Reproducible radiation-damage processes in proteins irradiated by intense x-ray pulses. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 91: 022705. PMID 25768529 DOI: 10.1103/PhysRevE.91.022705 |
0.158 |
|
1998 |
Baburina I, Li H, Bennion B, Furey W, Jordan F. Interdomain information transfer during substrate activation of yeast pyruvate decarboxylase: The interaction between cysteine 221 and histidine 92 Biochemistry. 37: 1235-1244. PMID 9477949 DOI: 10.1021/Bi970990+ |
0.147 |
|
2023 |
Stroet M, Caron B, Engler MS, van der Woning J, Kauffmann A, van Dijk M, El-Kebir M, Visscher KM, Holownia J, Macfarlane C, Bennion BJ, Gelpi-Dominguez S, Lightstone FC, van der Storm T, Geerke DP, et al. OFraMP: a fragment-based tool to facilitate the parametrization of large molecules. Journal of Computer-Aided Molecular Design. PMID 37310542 DOI: 10.1007/s10822-023-00511-7 |
0.129 |
|
2011 |
Šepsová V, Žďárová Karasová J, Zemek F, Bennion BJ, Kuča K. OXIMES AS INHIBITORS OF ACETYLHOLINESTERASE - A STRUCTURE-ACTIVITY RELATIONSHIP (SAR) STUDY Military Medical Science Letters. 80: 178-186. DOI: 10.31482/mmsl.2011.024 |
0.113 |
|
2015 |
Hau-Riege SP, Bennion BJ. Reproducible radiation-damage processes in proteins irradiated by intense x-ray pulses Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 91. DOI: 10.1103/PhysRevE.91.022705 |
0.112 |
|
2023 |
Bernardi A, Bennett WFD, He S, Jones D, Kirshner D, Bennion BJ, Carpenter TS. Advances in Computational Approaches for Estimating Passive Permeability in Drug Discovery. Membranes. 13. PMID 37999336 DOI: 10.3390/membranes13110851 |
0.111 |
|
2014 |
Labute MX, Zhang X, Lenderman J, Bennion BJ, Wong SE, Lightstone FC. Adverse drug reaction prediction using scores produced by large-scale drug-protein target docking on high-performance computing machines Plos One. 9. DOI: 10.1371/journal.pone.0106298 |
0.108 |
|
2021 |
Bennion BJ, Malfatti MA, Be NA, Enright HA, Hok S, Cadieux CL, Carpenter TS, Lao V, Kuhn EA, McNerney MW, Lightstone FC, Nguyen TH, Valdez CA. Development of a CNS-permeable reactivator for nerve agent exposure: an iterative, multi-disciplinary approach. Scientific Reports. 11: 15567. PMID 34330964 DOI: 10.1038/s41598-021-94963-2 |
0.104 |
|
2023 |
Fan YJ, Allen JE, McLoughlin KS, Shi D, Bennion BJ, Zhang X, Lightstone FC. Evaluating point-prediction uncertainties in neural networks for protein-ligand binding prediction. Artificial Intelligence Chemistry. 1. PMID 37583465 DOI: 10.1016/j.aichem.2023.100004 |
0.099 |
|
2017 |
Bennion BJ, Be NA, McNerney MW, Lao V, Carlson EM, Valdez CA, Malfatti MA, Enright HA, Nguyen TH, Lightstone FC, Carpenter TS. Predicting a Drug's Membrane Permeability: A Computational Model Validated With In Vitro Permeability Assay Data. The Journal of Physical Chemistry. B. PMID 28453293 DOI: 10.1021/Acs.Jpcb.7B02914 |
0.095 |
|
2005 |
Bennion BJ, Cosman M, Lightstone FC, Knize MG, Montgomery JL, Bennett LM, Felton JS, Kulp KS. PhIP carcinogenicity in breast cancer: computational and experimental evidence for competitive interactions with human estrogen receptor. Chemical Research in Toxicology. 18: 1528-36. PMID 16533016 DOI: 10.1021/tx0501031 |
0.084 |
|
2014 |
Bennion BJ, London RA, Hau-Riege SP, Barsky D. Modeling Evaporation in Aqueous Nanodroplets Biophysical Journal. 106: 620a-621a. DOI: 10.1016/j.bpj.2013.11.3434 |
0.076 |
|
2016 |
Carpenter TS, McNerney MW, Be NA, Lao V, Carlson EM, Bennion BJ, Lightstone FC, Valdez CA. Predicting A Drug'S Membrane Permeability: Evolution of a Computational Model Validated with in Vitro Permeability Assay Data Biophysical Journal. 110: 330a. DOI: 10.1016/J.Bpj.2015.11.1773 |
0.073 |
|
2021 |
McLoughlin KS, Jeong CG, Sweitzer TD, Minnich AJ, Tse MJ, Bennion BJ, Allen JE, Calad-Thomson S, Rush TS, Brase JM. Machine Learning Models to Predict Inhibition of the Bile Salt Export Pump. Journal of Chemical Information and Modeling. PMID 33502191 DOI: 10.1021/acs.jcim.0c00950 |
0.065 |
|
2017 |
Malfatti MA, Enright HA, Be NA, Kuhn EA, Hok S, McNerney MW, Lao V, Nguyen TH, Lightstone FC, Carpenter TS, Bennion BJ, Valdez CA. The biodistribution and pharmacokinetics of the oxime acetylcholinesterase reactivator RS194B in guinea pigs. Chemico-Biological Interactions. PMID 28941624 DOI: 10.1016/J.Cbi.2017.09.016 |
0.065 |
|
2013 |
Bennion BJ, Lau EY, Fattebert J, Huang P, Schwegler E, Corning W, Lightstone FC. MODELING THE BINDING OF CWAs TO AChE AND BuChE Military Medical Science Letters. 82: 102-114. DOI: 10.31482/mmsl.2013.015 |
0.047 |
|
2009 |
Fattebert JL, Law RJ, Bennion B, Lau EY, Schwegler E, Lightstone FC. Quantitative assessment of electrostatic embedding in density functional theory calculations of biomolecular systems Journal of Chemical Theory and Computation. 5: 2257-2264. DOI: 10.1021/ct900209y |
0.034 |
|
Hide low-probability matches. |