Troy Wymore: search on Z-Library

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1

GTKDynamo: A PyMOL plug-in for QC/MM hybrid potential simulations

Bachega, José Fernando R., Timmers, Luís Fernando S. M., Assirati, Lucas, Bachega, Leonardo R., Field, Martin J., Wymore, Troy

Journal:

Journal of Computational Chemistry

Year:

2013

Language:

english

File:

PDF, 898 KB

english, 2013

2

L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study

Langan, Paul, Sangha, Amandeep K., Wymore, Troy, Parks, Jerry M., Yang, Zamin Koo, Hanson, B. Leif, Fisher, Zoe, Mason, Sax A., Blakeley, Matthew P., Forsyth, V. Trevor, Glusker, Jenny P., Carrell, Ho

Journal:

Year:

2014

Language:

english

File:

PDF, 2.64 MB

english, 2014

3

Quantum Tunnelling in Enzyme-Catalysed Reactions. Edited by Rudolf K. Allemann and Nigel S. Scrutton.

Journal:

Year:

2009

Language:

english

File:

PDF, 74 KB

english, 2009

4

The Structure and Dynamics of ACTH (1–10) on the Surface of a Sodium Dodecylsulfate (SDS) Micelle: A Molecular Dynamics Simulation Study

Wymore, Troy, Wong, Tuck C.

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2000

Language:

english

File:

PDF, 286 KB

english, 2000

5

Productive reorientation of a bound oxime reactivator revealed in room-temperature X-ray structures of native and VX-inhibited human acetylcholinesterase

Gerlits, Oksana, Kong, Xiaotian, Cheng, Xiaolin, Wymore, Troy, Blumenthal, Donald K., Taylor, Palmer, Radić, Zoran, Kovalevsky, Andrey

Journal:

Journal of Biological Chemistry

Year:

2019

Language:

english

File:

PDF, 2.73 MB

english, 2019

6

Quantum chemical study of the mechanism of action of vitamin K epoxide reductase (VKOR)

David Deerfield II, Charles H. Davis, Troy Wymore, Darrel W. Stafford, Lee G. Pedersen

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 320 KB

english, 2006

7

P90 Hydrogen sulfide activation by hemeproteins: Implications of the sulfheme scenario

Lopez-Garriga, Juan, Wymore, Troy, Pietri, Ruth, Roman-Morales, Elddie M., Rios-Gonzalez, Bessie, Arbelo, Hector

Journal:

Year:

2014

Language:

english

File:

PDF, 43 KB

english, 2014

8

A Mechanism for Evolving Novel Plant Sesquiterpene Synthase Function

Troy Wymore, Brian Y. Chen, Hugh B. Nicholas Jr., Alexander J. Ropelewski, Charles L. Brooks III

Journal:

Molecular Informatics

Year:

2011

Language:

english

File:

PDF, 1.15 MB

english, 2011

9

Molecular Dynamics Study of Substance P Peptides in a Biphasic Membrane Mimic

Wymore, Troy, Wong, Tuck C.

Journal:

Biophysical Journal

Year:

1999

Language:

english

File:

PDF, 226 KB

english, 1999

10

Molecular Dynamics Study of Substance P Peptides Partitioned in a Sodium Dodecylsulfate Micelle

Wymore, Troy, Wong, Tuck C.

Journal:

Biophysical Journal

Year:

1999

Language:

english

File:

PDF, 845 KB

english, 1999

11

Exploring the Physicochemical Properties of Oxime-Reactivation Therapeutics for Cyclosarin, Sarin, Tabun, and VX Inactivated Acetylcholinesterase

Esposito, Emilio Xavier, Stouch, Terry R., Wymore, Troy, Madura, Jeffry D.

Journal:

Chemical Research in Toxicology

Year:

2014

Language:

english

File:

PDF, 3.57 MB

english, 2014

12

Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design

Kumar, Mukesh, Mandal, Kalyaneswar, Blakeley, Matthew P., Wymore, Troy, Kent, Stephen B. H., Louis, John M., Das, Amit, Kovalevsky, Andrey

Journal:

Year:

2020

File:

PDF, 4.73 MB

2020

13

Does Symmetry of Ligand Occupancy Matter to Conformational Transitions of Pentameric Ligand Gated Ion Channels?

Mowrey, David D., Cheng, Mary H., Liu, Lu T., Willenbring, Dan, Lu, Xinghua, Wymore, Troy, Xu, Yan, Tang, Pei

Journal:

Biophysical Journal

Year:

2013

Language:

english

File:

PDF, 39 KB

english, 2013

14

Hydrolysis of DFP and the Nerve Agent ( S )-Sarin by DFPase Proceeds along Two Different Reaction Pathways: Implications for Engineering Bioscavengers

Wymore, Troy, Field, Martin J., Langan, Paul, Smith, Jeremy C., Parks, Jerry M.

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 5.28 MB

english, 2014

15

Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site

Gerlits, Oksana, Wymore, Troy, Das, Amit, Shen, Chen-Hsiang, Parks, Jerry M., Smith, Jeremy C., Weiss, Kevin L., Keen, David A., Blakeley, Matthew P., Louis, John M., Langan, Paul, Weber, Irene T., Ko

Journal:

Angewandte Chemie International Edition

Year:

2016

Language:

english

File:

PDF, 1.18 MB

english, 2016

16

Positioning-Group-Enabled Biocatalytic Oxidative Dearomatization

Dockrey, Summer A. Baker, Suh, Carolyn E., Benítez, Attabey Rodríguez, Wymore, Troy, Brooks, Charles L., Narayan, Alison R. H.

Journal:

ACS Central Science

Year:

2019

File:

PDF, 3.14 MB

2019

17

An algorithm for identification and ranking of family-specific residues, applied to the ALDH3 family

John Hempel, John Perozich, Troy Wymore, Hugh B. Nicholas

Journal:

Chemico-Biological Interactions

Year:

2003

Language:

english

File:

PDF, 256 KB

english, 2003

18

Asymmetric Ligand Binding Facilitates Conformational Transitions in Pentameric Ligand-Gated Ion Channels

Mowrey, David, Cheng, Mary Hongying, Liu, Lu Tian, Willenbring, Dan, Lu, Xinghua, Wymore, Troy, Xu, Yan, Tang, Pei

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 1.44 MB

english, 2013

19

Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site

Gerlits, Oksana, Wymore, Troy, Das, Amit, Shen, Chen-Hsiang, Parks, Jerry M., Smith, Jeremy C., Weiss, Kevin L., Keen, David A., Blakeley, Matthew P., Louis, John M., Langan, Paul, Weber, Irene T., Ko

Journal:

Angewandte Chemie

Year:

2016

Language:

english

File:

PDF, 1.15 MB

english, 2016

20

Homolytic Cleavage of Both Heme-bound Hydrogen Peroxide and Hydrogen Sulfide Leads to the Formation of Sulfheme

Lopez, Hector D. Arbelo, Simakov, Nikolay Alekseevich, Smith, Jeremy C., Lopez-Garriga, Juan, Wymore, Troy

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 7.49 MB

english, 2016

21

Parametrization of 2-Bromo-2-Chloro-1,1,1-Trifluoroethane (Halothane) and Hexafluoroethane for Nonbonded Interactions

Liu, Zhanwu, Xu, Yan, Saladino, Alexander C., Wymore, Troy, Tang, Pei

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 66 KB

english, 2004

22

Clinical Variants of the Native Class D β-lactamase of Acinetobacter baumannii pose an emerging threat through increased hydrolytic activity against carbapenems

Schroder, Emma C., Klamer, Zachary L., Saral, Aysegul, Sugg, Kyle A., June, Cynthia M., Wymore, Troy, Szarecka, Agnieszka, Leonard, David A.

Journal:

Antimicrobial Agents and Chemotherapy

Year:

2016

Language:

english

File:

PDF, 8.69 MB

english, 2016

23

Molecular dynamics simulation of class 3 aldehyde dehydrogenase

Troy Wymore, Hugh B. Nicholas, John Hempel

Journal:

Chemico-Biological Interactions

Year:

2001

Language:

english

File:

PDF, 84 KB

english, 2001

24

FROM MOLECULAR PHYLOGENETICS TO QUANTUM CHEMISTRY: DISCOVERING ENZYME DESIGN PRINCIPLES THROUGH COMPUTATION

Wymore, Troy, Brooks, Charles L.

Journal:

Computational and Structural Biotechnology Journal

Year:

2012

Language:

english

File:

PDF, 3.13 MB

english, 2012

25

A quantum chemical study of the mechanism of action of Vitamin K epoxide reductase (VKOR): II. Transition states

Charles H. Davis, David Deerfield II, Troy Wymore, Darrel W. Stafford, Lee G. Pedersen

Journal:

Journal of Molecular Graphics and Modelling

Year:

2007

Language:

english

File:

PDF, 788 KB

english, 2007

26

A Distal Disulfide Bridge in OXA-1 β-Lactamase Stabilizes the Catalytic Center and Alters the Dynamics of Specificity Determining Ω Loop

Simakov, Nikolay Alekseevich, Leonard, David A., Smith, Jeremy C., Wymore, Troy, Szarecka, Agnieszka

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 41.19 MB

english, 2016

27

A quantum chemical study of the mechanism of action of Vitamin K carboxylase (VKC): III. Intermediates and transition states

Charles H. Davis, David Deerfield II, Troy Wymore, Darrel W. Stafford, Lee G. Pedersen

Journal:

Journal of Molecular Graphics and Modelling

Year:

2007

Language:

english

File:

PDF, 480 KB

english, 2007

28

Gamma glutamyl semialdehyde dehydrogenase: Simulations on native and mutant forms support the importance of outer shell lysines

John Hempel, Adam Kraut, Troy Wymore

Journal:

Chemico-Biological Interactions

Year:

2009

Language:

english

File:

PDF, 242 KB

english, 2009

29

Mechanistic Implications of the Cysteine−Nicotinamide Adduct in Aldehyde Dehydrogenase Based on Quantum Mechanical/Molecular Mechanical Simulations †

Wymore, Troy, Deerfield, David W., Hempel, John

Journal:

Year:

2007

Language:

english

File:

PDF, 549 KB

english, 2007

30

Molecular recognition of aldehydes by aldehyde dehydrogenase and mechanism of nucleophile activation

Troy Wymore, John Hempel, Samuel S. Cho, Alexander D. MacKerell Jr., Hugh B. Nicholas Jr., David W. Deerfield II

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2004

Language:

english

File:

PDF, 542 KB

english, 2004

31

The Hydroxyl Radical Coupled Electron Transfer Mechanism of Flavin-Dependent Hydroxylases

Tweedy, Sara E., Rodriguez Benitez, Attabey, Narayan, Alison R. H., Zimmerman, Paul M., Brooks, Charles L., Wymore, Troy

Journal:

Journal of Physical Chemistry B

Year:

2019

Language:

english

File:

PDF, 901 KB

english, 2019

32

Initial catalytic events in class 3 aldehyde dehydrogenase: MM and QM/MM simulations

Troy Wymore, David W Deerfield II, Martin J Field, John Hempel, Hugh B Nicholas Jr.

Journal:

Chemico-Biological Interactions

Year:

2003

Language:

english

File:

PDF, 304 KB

english, 2003

33

Stochastic Pairwise Alignments and Scoring Methods for Comparative Protein Structure Modeling

Marko, Adam C., Stafford, Kate, Wymore, Troy

Journal:

Journal of Chemical Information and Modeling

Year:

2007

Language:

english

File:

PDF, 345 KB

english, 2007

34

Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D β-Lactamases from Acinetobacter baumannii

Mitchell, Joshua M., Clasman, Jozlyn R., June, Cynthia M., Kaitany, Kip-Chumba J., LaFleur, James R., Taracila, Magdalena A., Klinger, Neil V., Bonomo, Robert A., Wymore, Troy, Szarecka, Agnieszka, Po

Journal:

Year:

2015

Language:

english

File:

PDF, 3.92 MB

english, 2015

35

Volatile squalene from a nonseed plant Selaginella moellendorffii: Emission and biosynthesis

Jiang, Yifan, Chen, Hao, Chen, Xinlu, Köllner, Tobias G., Jia, Qidong, Wymore, Troy W., Wang, Fei, Chen, Feng

Journal:

Plant Physiology and Biochemistry

Year:

2015

Language:

english

File:

PDF, 1.46 MB

english, 2015

36

Charge Transfer and π to π* Transitions in the Visible Spectra of Sulfheme Met Isomeric Structures

Arbelo-López, Hėctor D, Rodriguez-Mackenzie, Angel D., Roman-Morales, Elddie M., Wymore, Troy, López-Garriga, Juan

Journal:

Journal of Physical Chemistry B

Year:

2018

Language:

english

File:

PDF, 1.23 MB

english, 2018

37

Multiscale modeling of nerve agent hydrolysis mechanisms: a tale of two Nobel Prizes

Field, Martin J, Wymore, Troy W

Journal:

Physica Scripta

Year:

2014

Language:

english

File:

PDF, 1.24 MB

english, 2014

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