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Title: Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models

Authors:
 [1];  [2];  [2];  [3];  [4];  [4]; ORCiD logo [1]
  1. Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, Illinois 60637, United States
  2. Discovery Chemistry Research and Technologies, Eli Lilly and Company, Lilly Corporate Center, Indianapolis, Indiana 46285, United States
  3. Applied Molecular Evolution, Eli Lilly and Company, Lilly Biotechnology Center, 10290 Campus Point Drive, San Diego, California 92121, United States
  4. Discovery Chemistry Research and Technologies, Eli Lilly and Company, Lilly Biotechnology Center, 10290 Campus Point Drive, San Diego, California 92121, United States
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
INDUSTRYNCINIH
OSTI Identifier:
1480353
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Theory and Computation
Additional Journal Information:
Journal Volume: 14; Journal Issue: 5; Journal ID: ISSN 1549-9618
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Meng, Yilin, Gao, Cen, Clawson, David K., Atwell, Shane, Russell, Marijane, Vieth, Michal, and Roux, Benoît. Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models. United States: N. p., 2018. Web. doi:10.1021/acs.jctc.7b01170.
Meng, Yilin, Gao, Cen, Clawson, David K., Atwell, Shane, Russell, Marijane, Vieth, Michal, & Roux, Benoît. Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models. United States. doi:10.1021/acs.jctc.7b01170.
Meng, Yilin, Gao, Cen, Clawson, David K., Atwell, Shane, Russell, Marijane, Vieth, Michal, and Roux, Benoît. Fri . "Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models". United States. doi:10.1021/acs.jctc.7b01170.
@article{osti_1480353,
title = {Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models},
author = {Meng, Yilin and Gao, Cen and Clawson, David K. and Atwell, Shane and Russell, Marijane and Vieth, Michal and Roux, Benoît},
abstractNote = {},
doi = {10.1021/acs.jctc.7b01170},
journal = {Journal of Chemical Theory and Computation},
issn = {1549-9618},
number = 5,
volume = 14,
place = {United States},
year = {2018},
month = {2}
}