000 01636 a2200457 4500
005 20250515193829.0
264 0 _c20100426
008 201004s 0 0 eng d
022 _a1932-6203
024 7 _a10.1371/journal.pone.0007730
_2doi
040 _aNLM
_beng
_cNLM
100 1 _aPang, Yuan-Ping
245 0 0 _aPotent new small-molecule inhibitor of botulinum neurotoxin serotype A endopeptidase developed by synthesis-based computer-aided molecular design.
_h[electronic resource]
260 _bPloS one
_cNov 2009
300 _ae7730 p.
_bdigital
500 _aPublication Type: Journal Article; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.
650 0 4 _aBotulinum Toxins, Type A
_xchemistry
650 0 4 _aBotulism
_xtherapy
650 0 4 _aComputational Biology
_xmethods
650 0 4 _aComputer Simulation
650 0 4 _aDrug Design
650 0 4 _aEndopeptidases
_xchemistry
650 0 4 _aHumans
650 0 4 _aInhibitory Concentration 50
650 0 4 _aKinetics
650 0 4 _aMagnetic Resonance Spectroscopy
650 0 4 _aMolecular Conformation
650 0 4 _aMolecular Dynamics Simulation
650 0 4 _aMolecular Structure
650 0 4 _aSoftware
650 0 4 _aStructure-Activity Relationship
700 1 _aVummenthala, Anuradha
700 1 _aMishra, Rajesh K
700 1 _aPark, Jewn Giew
700 1 _aWang, Shaohua
700 1 _aDavis, Jon
700 1 _aMillard, Charles B
700 1 _aSchmidt, James J
773 0 _tPloS one
_gvol. 4
_gno. 11
_gp. e7730
856 4 0 _uhttps://doi.org/10.1371/journal.pone.0007730
_zAvailable from publisher's website
999 _c19289157
_d19289157