Year |
Citation |
Score |
2022 |
Liu Y, Frank AT. Using Selectively Scaled Molecular Dynamics Simulations to Assess Ligand Poses in RNA Aptamers. Journal of Chemical Theory and Computation. PMID 35926894 DOI: 10.1021/acs.jctc.2c00123 |
0.332 |
|
2022 |
Moudgal N, Arhin G, Frank AT. Using Unassigned NMR Chemical Shifts to Model RNA Secondary Structure. The Journal of Physical Chemistry. A. 126: 2739-2745. PMID 35470661 DOI: 10.1021/acs.jpca.2c00456 |
0.381 |
|
2021 |
Zhang K, Frank AT. Probabilistic Modeling of RNA Ensembles Using NMR Chemical Shifts. The Journal of Physical Chemistry. B. PMID 34449236 DOI: 10.1021/acs.jpcb.1c05651 |
0.43 |
|
2021 |
Xie J, Frank AT. RNA Ensembles from Solvent Accessibility Data: Application to the SAM-I Riboswitch Aptamer Domain. The Journal of Physical Chemistry. B. PMID 33818089 DOI: 10.1021/acs.jpcb.0c11503 |
0.32 |
|
2021 |
Zhang K, Abdallah K, Ajmera P, Finos K, Looka A, Mekhael J, Frank AT. CS-Annotate: A Tool for Using NMR Chemical Shifts to Annotate RNA Structure. Journal of Chemical Information and Modeling. 61: 1545-1549. PMID 33797909 DOI: 10.1021/acs.jcim.1c00006 |
0.342 |
|
2020 |
Chhabra S, Xie J, Frank AT. RNAPosers: Machine Learning Classifiers for Ribonucleic Acid-Ligand Poses. The Journal of Physical Chemistry. B. PMID 32427491 DOI: 10.1021/Acs.Jpcb.0C02322 |
0.354 |
|
2020 |
Xie J, Zhang K, Frank AT. PyShifts: A PyMOL Plugin for Chemical Shift-Based Analysis of Biomolecular Ensembles. Journal of Chemical Information and Modeling. PMID 32011127 DOI: 10.1021/Acs.Jcim.9B01039 |
0.394 |
|
2019 |
Zhang K, Frank AT. Conditional Prediction of Ribonucleic Acid Secondary Structure Using Chemical Shifts. The Journal of Physical Chemistry. B. PMID 31829591 DOI: 10.1021/Acs.Jpcb.9B09814 |
0.472 |
|
2019 |
Deb I, Frank AT. Accelerating Rare Dissociative Processes in Biomolecules Using Selectively Scaled MD Simulations. Journal of Chemical Theory and Computation. PMID 31509413 DOI: 10.1021/Acs.Jctc.9B00262 |
0.322 |
|
2018 |
Zhang K, Frank A. RNA Secondary Structure Prediction Guided by Chemical Shifts Biophysical Journal. 114. DOI: 10.1016/J.Bpj.2017.11.3657 |
0.456 |
|
2017 |
Eschweiler JD, Frank AT, Ruotolo BT. Coming to Grips with Ambiguity: Ion Mobility-Mass Spectrometry for Protein Quaternary Structure Assignment. Journal of the American Society For Mass Spectrometry. PMID 28752478 DOI: 10.1007/S13361-017-1757-1 |
0.356 |
|
2017 |
Wei S, Brooks CL, Frank AT. A rapid solvent accessible surface area estimator for coarse grained molecular simulations. Journal of Computational Chemistry. PMID 28419507 DOI: 10.1002/Jcc.24709 |
0.538 |
|
2016 |
Frank AT, Andricioaei I. A Reaction Coordinate-Free Approach to Recovering Kinetics from Potential-Scaled Simulations: Application of Kramers' Rate Theory. The Journal of Physical Chemistry. B. PMID 27220565 DOI: 10.1021/Acs.Jpcb.6B02654 |
0.593 |
|
2016 |
Frank AT. Can Holo NMR Chemical Shifts be Directly Used to Resolve RNA-Ligand Poses? Journal of Chemical Information and Modeling. PMID 26771259 DOI: 10.1021/Acs.Jcim.5B00593 |
0.454 |
|
2015 |
Frank AT, Zhang Q, Al-Hashimi HM, Andricioaei I. Slowdown of Interhelical Motions Induces a Glass Transition in RNA. Biophysical Journal. 108: 2876-85. PMID 26083927 DOI: 10.1016/J.Bpj.2015.04.041 |
0.61 |
|
2015 |
Frank AT, Law SM, Ahlstrom LS, Brooks CL. Predicting Protein Backbone Chemical Shifts From Cα Coordinates: Extracting High Resolution Experimental Observables from Low Resolution Models. Journal of Chemical Theory and Computation. 11: 325-331. PMID 25620895 DOI: 10.1021/Ct5009125 |
0.712 |
|
2014 |
Frank AT, Law SM, Brooks CL. A simple and fast approach for predicting (1)H and (13)C chemical shifts: toward chemical shift-guided simulations of RNA. The Journal of Physical Chemistry. B. 118: 12168-75. PMID 25255209 DOI: 10.1021/Jp508342X |
0.723 |
|
2014 |
Law SM, Frank AT, Brooks CL. PCASSO: a fast and efficient Cα-based method for accurately assigning protein secondary structure elements. Journal of Computational Chemistry. 35: 1757-61. PMID 24995959 DOI: 10.1002/Jcc.23683 |
0.686 |
|
2013 |
Frank AT, Bae SH, Stelzer AC. Prediction of RNA 1H and 13C chemical shifts: a structure based approach. The Journal of Physical Chemistry. B. 117: 13497-506. PMID 24033307 DOI: 10.1021/Jp407254M |
0.472 |
|
2013 |
Miranda MS, Esteves da Silva JC, Castillo A, Frank AT, Greer A, Brown JA, Davis BC, Liebman JF. Amino, Ammonio and Aminioethenes: A Theoretical Study of their Structure and Energetics. Journal of Physical Organic Chemistry. 26: 613-625. PMID 24019594 DOI: 10.1002/Poc.3140 |
0.52 |
|
2013 |
Frank AT, Horowitz S, Andricioaei I, Al-Hashimi HM. Utility of 1H NMR chemical shifts in determining RNA structure and dynamics. The Journal of Physical Chemistry. B. 117: 2045-52. PMID 23320790 DOI: 10.1021/Jp310863C |
0.679 |
|
2011 |
Stelzer AC, Frank AT, Kratz JD, Swanson MD, Gonzalez-Hernandez MJ, Lee J, Andricioaei I, Markovitz DM, Al-Hashimi HM. Discovery of selective bioactive small molecules by targeting an RNA dynamic ensemble. Nature Chemical Biology. 7: 553-9. PMID 21706033 DOI: 10.1038/Nchembio.596 |
0.615 |
|
2011 |
Frank A, Andricioaei I. A comparative study on the ability of two implicit solvent lipid models to predict transmembrane helix tilt angles. The Journal of Membrane Biology. 239: 57-62. PMID 21152910 DOI: 10.1007/S00232-010-9325-7 |
0.575 |
|
2010 |
Frank AT, Ramsook CB, Otoo HN, Tan C, Soybelman G, Rauceo JM, Gaur NK, Klotz SA, Lipke PN. Structure and function of glycosylated tandem repeats from Candida albicans Als adhesins. Eukaryotic Cell. 9: 405-14. PMID 19820118 DOI: 10.1128/Ec.00235-09 |
0.322 |
|
2010 |
Ramsook CB, Frank AT, Otoo HN, Tan C, Soybelman G, Rauceo JM, Lipke PN. Tandem Repeats Domain in Candida Albicans Als Adhesins Biophysical Journal. 98: 453a. DOI: 10.1016/J.Bpj.2009.12.2463 |
0.308 |
|
2009 |
Stelzer AC, Frank AT, Bailor MH, Andricioaei I, Al-Hashimi HM. Constructing atomic-resolution RNA structural ensembles using MD and motionally decoupled NMR RDCs. Methods (San Diego, Calif.). 49: 167-73. PMID 19699798 DOI: 10.1016/J.Ymeth.2009.08.006 |
0.655 |
|
2009 |
Frank AT, Stelzer AC, Al-Hashimi HM, Andricioaei I. Constructing RNA dynamical ensembles by combining MD and motionally decoupled NMR RDCs: new insights into RNA dynamics and adaptive ligand recognition. Nucleic Acids Research. 37: 3670-9. PMID 19369218 DOI: 10.1093/Nar/Gkp156 |
0.645 |
|
2009 |
Frank AT, Stelzer A, Andricioaei I, Al-Hashimi H. An RNA Structural Ensemble Derived by Combining MD and Elongated NMR RDCs Provides Evidence for Adaptive Recognition via Conformational Selection Biophysical Journal. 96: 579a. DOI: 10.1016/J.Bpj.2008.12.3026 |
0.642 |
|
2007 |
Frank AT, Farina NS, Sawwan N, Wauchope OR, Qi M, Brzostowska EM, Chan W, Grasso FW, Haberfield P, Greer A. Natural macrocyclic molecules have a possible limited structural diversity. Molecular Diversity. 11: 115-8. PMID 18027097 DOI: 10.1007/S11030-007-9065-5 |
0.496 |
|
2007 |
Frank AT, Adenike A, Aebisher D, Greer A, Gao R, Liebman JF. Paradigms and paradoxes: Energetics of the oxidative cleavage of indigo and of other olefins Structural Chemistry. 18: 71-74. DOI: 10.1007/S11224-006-9126-X |
0.462 |
|
2006 |
Gandra N, Frank AT, Le Gendre O, Sawwan N, Aebisher D, Liebman JF, Houk KN, Greer A, Gao R. Possible singlet oxygen generation from the photolysis of indigo dyes in methanol, DMSO, water, and ionic liquid, 1-butyl-3-methylimidazolium tetrafluoroborate Tetrahedron. 62: 10771-10776. DOI: 10.1016/J.Tet.2006.08.095 |
0.456 |
|
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