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Open Force Field Consortium: Escaping atom types using direct chemical perception with SMIRNOFF v0.1

View ORCID ProfileDavid L. Mobley, View ORCID ProfileCaitlin C. Bannan, Andrea Rizzi, Christopher I. Bayly, View ORCID ProfileJohn D. Chodera, View ORCID ProfileVictoria T. Lim, Nathan M. Lim, View ORCID ProfileKyle A. Beauchamp, View ORCID ProfileMichael R. Shirts, View ORCID ProfileMichael K. Gilson, Peter K. Eastman
doi: https://doi.org/10.1101/286542
David L. Mobley
1Department of Pharmaceutical Science, University of California, Irvine CA 92697
2Department of Chemistry, University of California, Irvine CA 92697
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  • ORCID record for David L. Mobley
Caitlin C. Bannan
2Department of Chemistry, University of California, Irvine CA 92697
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Andrea Rizzi
3Tri-Institutional Program in Computational Biology and Medicine, New York NY 10065
5Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, New York NY 10065
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Christopher I. Bayly
4OpenEye Scientific Software, Santa Fe NM 87507
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John D. Chodera
5Computational and Systems Biology Program, Memorial Sloan Kettering Cancer Center, New York NY 10065
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Victoria T. Lim
2Department of Chemistry, University of California, Irvine CA 92697
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  • ORCID record for Victoria T. Lim
Nathan M. Lim
1Department of Pharmaceutical Science, University of California, Irvine CA 92697
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Kyle A. Beauchamp
6Counsyl, South San Francisco, CA 94080
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Michael R. Shirts
7Department of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, CO 80309
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Michael K. Gilson
8Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego
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Peter K. Eastman
9Department of Chemistry, Stanford University, Stanford, CA 94305
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Posted July 13, 2018.
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Open Force Field Consortium: Escaping atom types using direct chemical perception with SMIRNOFF v0.1
David L. Mobley, Caitlin C. Bannan, Andrea Rizzi, Christopher I. Bayly, John D. Chodera, Victoria T. Lim, Nathan M. Lim, Kyle A. Beauchamp, Michael R. Shirts, Michael K. Gilson, Peter K. Eastman
bioRxiv 286542; doi: https://doi.org/10.1101/286542
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Open Force Field Consortium: Escaping atom types using direct chemical perception with SMIRNOFF v0.1
David L. Mobley, Caitlin C. Bannan, Andrea Rizzi, Christopher I. Bayly, John D. Chodera, Victoria T. Lim, Nathan M. Lim, Kyle A. Beauchamp, Michael R. Shirts, Michael K. Gilson, Peter K. Eastman
bioRxiv 286542; doi: https://doi.org/10.1101/286542

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