Lexa, Katrina W.: search on Z-Library

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1

De novo mutations in KIF1A cause progressive encephalopathy and brain atrophy

Esmaeeli Nieh, Sahar, Madou, Maura R. Z., Sirajuddin, Minhajuddin, Fregeau, Brieana, McKnight, Dianalee, Lexa, Katrina, Strober, Jonathan, Spaeth, Christine, Hallinan, Barbara E., Smaoui, Nizar, Pappa

Journal:

Annals of Clinical and Translational Neurology

Year:

2015

Language:

english

File:

PDF, 989 KB

english, 2015

2

A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions

Ji, Yining, Li, Hongming, Hyde, Alan M., Chen, Qinghao, Belyk, Kevin M., Lexa, Katrina W., Yin, Jingjun, Sherer, Edward C., Williamson, R. Thomas, Brunskill, Andrew, Ren, Sumei, Campeau, Louis-Charles

Journal:

Chemical Science

Year:

2017

Language:

english

File:

PDF, 2.44 MB

english, 2017

3

Full Protein Flexibility Is Essential for Proper Hot-Spot Mapping

Lexa, Katrina W., Carlson, Heather A.

Journal:

Journal of the American Chemical Society

Year:

2011

Language:

english

File:

PDF, 1.12 MB

english, 2011

4

Combining traditional 2D and modern physical organic-derived descriptors to predict enhanced enantioselectivity for the key aza-Michael conjugate addition in the synthesis of Prevymis™ (letermovir)

Metsänen, Toni T., Lexa, Katrina W., Santiago, Celine B., Chung, Cheol K., Xu, Yingju, Liu, Zhijian, Humphrey, Guy R., Ruck, Rebecca T., Sherer, Edward C., Sigman, Matthew S.

Journal:

Chemical Science

Year:

2018

Language:

english

File:

PDF, 909 KB

english, 2018

5

Computational Design and Experimental Discovery of an Antiestrogenic Peptide Derived from α-Fetoprotein

Kirschner, Karl N., Lexa, Katrina W., Salisburg, Amanda M., Alser, Katherine A., Joseph, Leroy, Andersen, Thomas T., Bennett, James A., Jacobson, Herbert I., Shields, George C.

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 222 KB

english, 2007

6

Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products

Bockus, Andrew T., Lexa, Katrina W., Pye, Cameron R., Kalgutkar, Amit S., Gardner, Jarret W., Hund, Kathryn C. R., Hewitt, William M., Schwochert, Joshua A., Glassey, Emerson, Price, David A., Mathiow

Journal:

Journal of Medicinal Chemistry

Year:

2015

Language:

english

File:

PDF, 1.31 MB

english, 2015

7

The search for low energy conformational families of small peptides: Searching for active conformations of small peptides in the absence of a known receptor

Katrina W. Lexa, Katherine A. Alser, Amanda M. Salisburg, Damien J. Ellens, Lorena Hernandez, Sam J. Bono, Heather C. Michael, Jennifer R. Derby, Jaime G. Skiba, Steven Feldgus, Karl N. Kirschner, Geo

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 331 KB

english, 2007

8

A Structure-Based Model for Predicting Serum Albumin Binding

Lexa, Katrina W., Dolghih, Elena, Jacobson, Matthew P., Permyakov, Eugene A.

Journal:

Year:

2014

Language:

english

File:

PDF, 1.98 MB

english, 2014

9

Clarifying allosteric control of flap conformations in the 1TW7 crystal structure of HIV-1 protease

Katrina W. Lexa, Kelly L. Damm, Jerome J. Quintero, Jason E. Gestwicki, Heather A. Carlson

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2009

Language:

english

File:

PDF, 581 KB

english, 2009

10

Structure–Activity Relationship and Molecular Mechanics Reveal the Importance of Ring Entropy in the Biosynthesis and Activity of a Natural Product

Tran, Hai L., Lexa, Katrina W., Julien, Olivier, Young, Travis S., Walsh, Christopher T., Jacobson, Matthew P., Wells, James A.

Journal:

Journal of the American Chemical Society

Year:

2017

Language:

english

File:

PDF, 552 KB

english, 2017

11

Beyond cyclosporine A: conformation-dependent passive membrane permeabilities of cyclic peptide natural products

Ahlbach, Christopher L, Lexa, Katrina W, Bockus, Andrew T, Chen, Valerie, Crews, Phillip, Jacobson, Matthew P, Lokey, R Scott

Journal:

Future Medicinal Chemistry

Year:

2015

Language:

english

File:

PDF, 1.31 MB

english, 2015

12

Asymmetric Hydrogen Bonding Catalysis for the Synthesis of Dihydroquinazoline-Containing Antiviral, Letermovir

Chung, Cheol K., Liu, Zhijian, Lexa, Katrina W., Andreani, Teresa, Xu, Yingju, Ji, Yining, DiRocco, Daniel A., Humphrey, Guy R., Ruck, Rebecca T.

Journal:

Journal of the American Chemical Society

Year:

2017

Language:

english

File:

PDF, 407 KB

english, 2017

13

Binding to the open conformation of HIV-1 protease

Katrina W. Lexa, Heather A. Carlson

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2011

Language:

english

File:

PDF, 3.32 MB

english, 2011

14

Identifying binding hot spots on protein surfaces by mixed-solvent molecular dynamics: HIV-1 protease as a test case

Ung, Peter M. U., Ghanakota, Phani, Graham, Sarah E., Lexa, Katrina W., Carlson, Heather A., McCammon, J.

Journal:

Year:

2016

Language:

english

File:

PDF, 1.03 MB

english, 2016

15

Ramachandran-type plots for glycosidic linkages: Examples from molecular dynamic simulations using the Glycam06 force field

Amanda M. Salisburg, Ashley L. Deline, Katrina W. Lexa, George C. Shields, Karl N. Kirschner

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 668 KB

english, 2009

16

Improving Protocols for Protein Mapping through Proper Comparison to Crystallography Data

Lexa, Katrina W., Carlson, Heather A.

Journal:

Journal of Chemical Information and Modeling

Year:

2013

Language:

english

File:

PDF, 1.87 MB

english, 2013

17

Unusual (+/-)-electrospray ionization induced fragmentation: Structural elucidation of an in-process synthetic intermediate of doravirine (MK-1439) using liquid chromatography/high-resolution tandem mass spectrometry and two-dimensional nuclear magnetic r

Sheng, Huaming, Lexa, Katrina W., Zhang, Li-Kang, Yang, Rong-Sheng, Wright, Timothy J., Sherry, Benjamin D., Helmy, Roy, Martin, Gary E.

Journal:

Rapid Communications in Mass Spectrometry

Year:

2017

Language:

english

File:

PDF, 872 KB

english, 2017

18

Protein flexibility in docking and surface mapping

Lexa, Katrina W., Carlson, Heather A.

Journal:

Quarterly Reviews of Biophysics

Year:

2012

Language:

english

File:

PDF, 392 KB

english, 2012

19

Structure of a Peptidoglycan Amidase Effector Targeted to Gram-Negative Bacteria by the Type VI Secretion System

Seemay Chou, Nhat Khai Bui, Alistair B. Russell, Katrina W. Lexa, Taylor E. Gardiner, Michele LeRoux, Waldemar Vollmer, Joseph D. Mougous

Journal:

Year:

2012

Language:

english

File:

PDF, 1.05 MB

english, 2012

20

Parameter Choice Matters: Validating Probe Parameters for Use in Mixed-Solvent Simulations

Lexa, Katrina W., Goh, Garrett B., Carlson, Heather A.

Journal:

Journal of Chemical Information and Modeling

Year:

2014

Language:

english

File:

PDF, 5.95 MB

english, 2014

21

CSAR Benchmark Exercise of 2010: Selection of the Protein–Ligand Complexes

Dunbar, James B., Smith, Richard D., Yang, Chao-Yie, Ung, Peter Man-Un, Lexa, Katrina W., Khazanov, Nickolay A., Stuckey, Jeanne A., Wang, Shaomeng, Carlson, Heather A.

Journal:

Journal of Chemical Information and Modeling

Year:

2011

Language:

english

File:

PDF, 3.05 MB

english, 2011

22

Exhaustive Conformational Sampling of Complex Fused Ring Macrocycles Using Inverse Kinematics

Coutsias, Evangelos A., Lexa, Katrina W., Wester, Michael J., Pollock, Sara N., Jacobson, Matthew P.

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 2.57 MB

english, 2016

23

‘Site and Mutation’-Specific Predictions Enable Minimal Directed Evolution Libraries

Moore, Jeffrey C, Rodriguez-Granillo, Agustina, Crespo, Alejandro, Govindarajan, Sridhar, Welch, Mark, Hiraga, Kaori, Lexa, Katrina, Marshall, Nicholas, Truppo, Matthew David

Journal:

ACS Synthetic Biology

Year:

2018

Language:

english

File:

PDF, 1.18 MB

english, 2018

24

Correction to CSAR Benchmark Exercise of 2010: Selection of the Protein–Ligand Complexes

Dunbar, James B., Smith, Richard D., Yang, Chao-Yie, Ung, Peter Man-Un, Lexa, Katrina W., Khazanov, Nickolay A., Stuckey, Jeanne A., Wang, Shaomeng, Carlson, Heather A.

Journal:

Journal of Chemical Information and Modeling

Year:

2011

Language:

english

File:

PDF, 613 KB

english, 2011

25

Mechanistic Study of the Gas-Phase In-Source Hofmann Elimination of Doubly Quaternized Cinchona-Alkaloid Based Phase-Transfer Catalysts by (+)-Electrospray Ionization/Tandem Mass Spectrometry

Yang, Rong-Sheng, Sheng, Huaming, Lexa, Katrina W., Sherer, Edward C., Zhang, Li-Kang, Xiang, Bangping, Helmy, Roy, Mao, Bing

Journal:

Journal of the American Society for Mass Spectrometry

Year:

2017

Language:

english

File:

PDF, 1.20 MB

english, 2017

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