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Wiesner Jiri

Recently Added Items

Title	Added By	Updated On
A Vulnerability in Popular Molecular Dynamics Packages Concerning Langevin and Andersen Dynamics	jiriwiesner	Aug 9, 2011 11:46:08 AM
Multipole electrostatics in hydration free energy calculations	jiriwiesner	Jul 22, 2011 4:25:59 PM
Estimation of statistical errors in molecular simulation calculations	jiriwiesner	Jul 22, 2011 9:02:30 AM
Oxime-Induced Reactivation of Sarin-Inhibited AChE: A Theoretical Mechanisms Study	jiriwiesner	Jul 21, 2011 9:48:14 PM
Reactivation of model cholinesterases by oximes and intermediate phosphyloximes: A computational study	jiriwiesner	Jul 21, 2011 9:14:48 PM
Hydrolysis of nerve agents by model nucleophiles: A computational study	jiriwiesner	Jul 21, 2011 9:14:48 PM
Reaction profiles of the interaction between sarin and acetylcholinesterase and the S203C mutant: Model nucleophiles and QM/MM potential energy surfaces	jiriwiesner	Jul 21, 2011 9:08:29 PM
How the cholinesterases got their modern names	jiriwiesner	Jul 21, 2011 9:06:48 PM
Aging mechanism of butyrylcholinesterase inhibited by an N-methyl analogue of tabun: Implications of the trigonal-bipyramidal transition state rearrangement for the phosphylation or reactivation of cholinesterases	jiriwiesner	Jul 21, 2011 8:53:58 PM
Cholinesterases (ChEs) and the cholinergic system in ontogenesis and phylogenesis, and non-classical roles of cholinesterases--A review	jiriwiesner	Jul 21, 2011 8:52:05 PM

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Various computational chemistry related references.

Owner: Jiri Wiesner
Registered: 2011-07-21
Type: Public
Membership: Closed

Members (4)