TY - GEN AU - Yu,Xiaozhen AU - Sigler,Sara C AU - Hossain,Delwar AU - Wierdl,Monika AU - Gwaltney,Steven R AU - Potter,Philip M AU - Wadkins,Randy M TI - Global and local molecular dynamics of a bacterial carboxylesterase provide insight into its catalytic mechanism SN - 0948-5023 PY - 2012///0920 KW - Algorithms KW - Amino Acid Sequence KW - Amino Acid Substitution KW - Bacillus subtilis KW - enzymology KW - Bacterial Proteins KW - chemistry KW - Biocatalysis KW - Carboxylesterase KW - Catalytic Domain KW - Hydrogen Bonding KW - Hydrolysis KW - Kinetics KW - Molecular Dynamics Simulation KW - Molecular Sequence Data KW - Mutagenesis, Site-Directed KW - Protein Binding KW - Protein Structure, Secondary KW - Thermodynamics N1 - Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S UR - https://doi.org/10.1007/s00894-011-1308-9 ER -