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T. Wymore · SciRah

Researcher profile · Semantic Scholar

T. Wymore

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T. Wymore — researcher profile on SciRah

h-index: 17
Works: 49
Citations: 781

Most-cited papers

Molecular dynamics simulation of the structure and dynamics of a dodecylphosphocholine micelle in aqueous solution
T. Wymore, Xin-Feng Gao, T. C. Wong
199963 citations
Semantic Scholar
Neutron scattering in the biological sciences: progress and prospects.
R. Ashkar, H. Bilheux, H. Bordallo, R. Briber +42 more
2018Acta Crystallographica Section D: Structural Biology60 citations Open access
Semantic Scholar
Asymmetric Ligand Binding Facilitates Conformational Transitions in Pentameric Ligand-Gated Ion Channels
D. Mowrey, M. H. Cheng, Lu Liu, D. Willenbring +4 more
2013Journal of the American Chemical Society50 citations Open access
Semantic Scholar
Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site
O. Gerlits, T. Wymore, A. Das, Chen-Hsiang Shen +9 more
2016Angewandte Chemie49 citations Open access
Semantic Scholar
THE STRUCTURAL BASIS OF ACTIVITY AGAINST AZTREONAM AND EXTENDED SPECTRUM CEPHALOSPORINS FOR TWO CARBAPENEM-HYDROLYZING CLASS D B-LACTAMASES FROM ACINETOBACTER BAUMANNII
Joshua M. Mitchell, Jozlyn R. Clasman, Cynthia M. June, Kipchumba Kaitany +8 more
2015Biochemistry42 citations Open access
Semantic Scholar
Hydrolysis of DFP and the Nerve Agent (S)-Sarin by DFPase Proceeds along Two Different Reaction Pathways: Implications for Engineering Bioscavengers
T. Wymore, M. Field, P. Langan, Jeremy C. Smith +1 more
2014Journal of Physical Chemistry B42 citations Open access
Semantic Scholar
Mechanistic implications of the cysteine-nicotinamide adduct in aldehyde dehydrogenase based on quantum mechanical/molecular mechanical simulations.
T. Wymore, D. Deerfield, J. Hempel
2007Biochemistry35 citations Open access
Semantic Scholar
The Class D beta-lactamase family: residues governing the maintenance and diversity of function.
A. Szarecka, Kimberly R Lesnock, C. A. Ramirez-Mondragon, Hugh B. Nicholas +1 more
2011Protein engineering, design & selection : PEDS31 citations Open access
Semantic Scholar
L-Arabinose binding, isomerization, and epimerization by D-xylose isomerase: X-ray/neutron crystallographic and molecular simulation study.
P. Langan, Amandeep K. Sangha, T. Wymore, J. Parks +12 more
2014Structure28 citations Open access
Semantic Scholar
Parametrization of 2-Bromo-2-Chloro-1,1,1-Trifluoroethane (Halothane) and Hexafluoroethane for Nonbonded Interactions
Zhan-Wu Liu, Yan Xu, Alexander C. Saladino, T. Wymore +1 more
200428 citations
Semantic Scholar
Molecular recognition of aldehydes by aldehyde dehydrogenase and mechanism of nucleophile activation
T. Wymore, J. Hempel, Samuel S. Cho, Alexander D. MacKerell +2 more
2004Proteins: Structure, Function, and Bioinformatics27 citations
Semantic Scholar
Deciphering the evolution of flavin-dependent monooxygenase stereoselectivity using ancestral sequence reconstruction
Chang-Hwa Chiang, T. Wymore, Attabey Rodríguez Benítez, Azam Hussain +3 more
2023Proceedings of the National Academy of Sciences of the United States of America25 citations Open access
Semantic Scholar
A quantum chemical study of the mechanism of action of Vitamin K epoxide reductase (VKOR) II. Transition states.
C. H. Davis, D. Deerfield, T. Wymore, D. Stafford +1 more
2007Journal of Molecular Graphics and Modelling21 citations
Semantic Scholar
Positioning-Group-Enabled Biocatalytic Oxidative Dearomatization
Summer A. Baker Dockrey, C. Suh, A. R. Benítez, T. Wymore +2 more
2019ACS Central Science20 citations Open access
Semantic Scholar
Clinical Variants of the Native Class D β-Lactamase of Acinetobacter baumannii Pose an Emerging Threat through Increased Hydrolytic Activity against Carbapenems
Emma C. Schroder, Zachary L. Klamer, A. Saral, Kyle Sugg +4 more
2016Antimicrobial Agents and Chemotherapy18 citations Open access
Semantic Scholar
GTKDynamo: a PyMOL plug-in for QC/MM hybrid potential simulations
J. F. Bachega, L. F. S. M. Timmers, Lucas Assirati, Leonardo R. Bachega +2 more
2013Journal of Computational Chemistry18 citations Open access
Semantic Scholar
Quantum chemical study of the mechanism of action of vitamin K epoxide reductase (VKOR)
D. Deerfield, C. H. Davis, T. Wymore, D. Stafford +1 more
200618 citations
Semantic Scholar
Charge Transfer and π to π* Transitions in the Visible Spectra of Sulfheme Met Isomeric Structures.
Héctor D. Arbelo-López, Angel D Rodriguez-Mackenzie, Elddie M. Roman-Morales, T. Wymore +1 more
2018Journal of Physical Chemistry B16 citations
Semantic Scholar
Initial catalytic events in class 3 aldehyde dehydrogenase: MM and QM/MM simulations.
T. Wymore, D. Deerfield, M. Field, J. Hempel +1 more
2003Chemico-Biological Interactions15 citations
Semantic Scholar
Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase
O. Gerlits, Xiaotian Kong, Xiaolin Cheng, T. Wymore +4 more
2019Journal of Biological Chemistry14 citations Open access
Semantic Scholar
Volatile squalene from a nonseed plant Selaginella moellendorffii: Emission and biosynthesis.
Yifan Jiang, Hao Chen, Xin-Lu Chen, T. Köllner +4 more
2015Plant physiology and biochemistry : PPB14 citations
Semantic Scholar
Multiscale modeling of nerve agent hydrolysis mechanisms: a tale of two Nobel Prizes
M. Field, T. Wymore
201414 citations Open access
Semantic Scholar
Capturing the Catalytic Proton of Dihydrofolate Reductase: Implications for General Acid–Base Catalysis
Q. Wan, B. Bennett, T. Wymore, Zhihong Li +5 more
2021ACS Catalysis12 citations Open access
Semantic Scholar
The Hydroxyl Radical Coupled Electron Transfer Mechanism of Flavin-Dependent Hydroxylases
S. Tweedy, A. R. Benítez, A. Narayan, P. Zimmerman +2 more
2019Journal of Physical Chemistry B12 citations Open access
Semantic Scholar
Homolytic Cleavage of Both Heme-Bound Hydrogen Peroxide and Hydrogen Sulfide Leads to the Formation of Sulfheme.
Héctor D. Arbelo-López, N. Simakov, Jeremy C. Smith, J. Lópéz-Garriga +1 more
2016Journal of Physical Chemistry B12 citations
Semantic Scholar
Exploring the physicochemical properties of oxime-reactivation therapeutics for cyclosarin, sarin, tabun, and VX inactivated acetylcholinesterase.
E. X. Esposito, T. Stouch, T. Wymore, J. Madura
2014Chemical Research in Toxicology11 citations
Semantic Scholar
A quantum chemical study of the mechanism of action of Vitamin K carboxylase (VKC) III. Intermediates and transition states.
C. H. Davis, D. Deerfield, T. Wymore, D. Stafford +1 more
2007Journal of Molecular Graphics and Modelling11 citations
Semantic Scholar
An algorithm for identification and ranking of family-specific residues, applied to the ALDH3 family.
J. Hempel, J. Perozich, T. Wymore, Hugh B. Nicholas
2003Chemico-Biological Interactions11 citations
Semantic Scholar
The Structure and Dynamics of ACTH (1–10) on the Surface of a Sodium Dodecylsulfate (SDS) Micelle: A Molecular Dynamics Simulation Study
T. Wymore, T. C. Wong
2000Journal of Biomolecular Structure and Dynamics11 citations
Semantic Scholar
A Mechanism for Evolving Novel Plant Sesquiterpene Synthase Function
T. Wymore, B. Chen, Hugh B. Nicholas, A. Ropelewski +1 more
2011Molecular Informatics8 citations Open access
Semantic Scholar
Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design
Mukesh Kumar, K. Mandal, M. Blakeley, T. Wymore +4 more
2020ACS Omega7 citations Open access
Semantic Scholar
A Distal Disulfide Bridge in OXA-1 β-Lactamase Stabilizes the Catalytic Center and Alters the Dynamics of the Specificity Determining Ω Loop.
N. Simakov, David A. Leonard, Jeremy C. Smith, T. Wymore +1 more
2017Journal of Physical Chemistry B7 citations
Semantic Scholar
Stochastic Pairwise Alignments and Scoring Methods for Comparative Protein Structure Modeling
Adam C. Marko, Kate A. Stafford, T. Wymore
2007Journal of Chemical Information and Modeling7 citations
Semantic Scholar
Radical Tropolone Biosynthesis
T. Doyon, K. Skinner, Di Yang, L. Mallik +4 more
20206 citations Open access
Semantic Scholar
Gamma glutamyl semialdehyde dehydrogenase: simulations on native and mutant forms support the importance of outer shell lysines.
J. Hempel, A. Kraut, T. Wymore
2009Chemico-Biological Interactions4 citations
Semantic Scholar
The Plasmodium Glutathione S-transferase - Bioinformatics Characterization and Classification into the Sigma Class
Emilee E. Colón-Lorenzo, Adelfa E. Serrano, Hugh B. Nicholas, T. Wymore +2 more
2010Bioinformatics3 citations Open access
Semantic Scholar
Stochastic Pairwise Alignments and Scoring Methods for Comparative Protein Structure Modeling.
Adam C. Marko, Kate A. Stafford, T. Wymore
20073 citations
Semantic Scholar
A reaction pathway to compound 0 intermediates in oxy-myoglobin through interactions with hydrogen sulfide and His64
Angel D Rodriguez-Mackenzie, Héctor D. Arbelo-López, T. Wymore, J. Lópéz-Garriga
2019Journal of Molecular Graphics and Modelling2 citations Open access
Semantic Scholar
P90 Hydrogen sulfide activation by hemeproteins: Implications of the sulfheme scenario
J. Lópéz-Garriga, T. Wymore, R. Pietri, Elddie M. Roman-Morales +2 more
20142 citations
Semantic Scholar
From Molecular Phylogenetics to Quantum Chemistry: Discovering Enzyme Design Principles through Computation
T. Wymore, C. Brooks
2012Computational and Structural Biotechnology Journal2 citations Open access
Semantic Scholar
Quantum Tunnelling in Enzyme‐Catalysed Reactions. Edited by Rudolf K. Allemann and Nigel S. Scrutton.
T. Wymore
20091 citations
Semantic Scholar
Adverse effects on plasma polymerized films due to previous oxygen etching in an ‘‘electrodeless’’ reactor
T. Wymore, M. F. Nichols
19941 citations
Semantic Scholar
FAD-dependent monooxygenase TropB from T. stipitatus substrate complex
A. R. Benítez, S. Tweedy, S. A. Baker Dockrey, A. L. Lukowski +6 more
20190 citations
Semantic Scholar
FAD-dependent monooxygenase TropB from T. stipitatus Y239F Variant
A. R. Benítez, S. Tweedy, S. A. Baker Dockrey, A. L. Lukowski +5 more
20190 citations
Semantic Scholar
Neutron crystallographic and scattering studies of function and inhibition of HIV-1 protease
A. Kovalevsky, O. Gerlits, A. Das, T. Wymore +4 more
20170 citations Open access
Semantic Scholar
Combining neutron crystallography, high-performance computing for enzyme design
A. Kovalevsky, T. Wymore, Amandeep K. Sangha, M. Challacombe +6 more
20140 citations Open access
Semantic Scholar
Factors Determining Carbapenemase Activity in the OXA Family of Â²-Lactamases
A. Szarecka, James R. Lafleur, Zachary Hundley, T. Wymore +1 more
20140 citations
Semantic Scholar
Does Symmetry of Ligand Occupancy Matter to Conformational Transitions of Pentameric Ligand Gated Ion Channels
D. Mowrey, M. H. Cheng, Lu Liu, D. Willenbring +4 more
20130 citations Open access
Semantic Scholar
Orf6: Biochemical Characterization of a Putative Thioesterase from a Polyunsaturated Fatty Acid Synthase
M. Rodriguez-Guilbe, Ricardo R. González-Méndez, T. Wymore, Eric Screiter +1 more
20120 citations
Semantic Scholar

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