Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.

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Published in J Phys Chem Lett on August 22, 2016

Authors

Yaw Sing Tan1, Judith Reeks2, Christopher J Brown3, Dawn Thean3, Fernando Jose Ferrer Gago3, Tsz Ying Yuen4, Eunice Tze Leng Goh5, Xue Er Cheryl Lee3, Claire E Jennings2, Thomas L Joseph1, Rajamani Lakshminarayanan5, David P Lane3, Martin E M Noble2, Chandra S Verma1,6,7

Author Affiliations

1: Bioinformatics Institute, Agency for Science, Technology and Research (A*STAR) , 30 Biopolis Street, #07-01 Matrix, Singapore 138671.
2: Northern Institute for Cancer Research, Newcastle University , Framlington Place, Newcastle upon Tyne NE2 4HH, U.K.
3: p53 Laboratory, A*STAR , 8A Biomedical Grove, #06-04/05 Neuros/Immunos, Singapore 138648.
4: Institute of Chemical & Engineering Sciences, A*STAR , 8 Biomedical Grove, #07-01 Neuros, Singapore 138665.
5: Singapore Eye Research Institute , 11 Third Hospital Avenue, Singapore 168751.
6: Department of Biological Sciences, National University of Singapore , 14 Science Drive 4, Singapore 117543.
7: School of Biological Sciences, Nanyang Technological University , 60 Nanyang Drive, Singapore 637551.

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