| P50 | author | Christopher M. Hadad | Q42425273 |
| P2093 | author name string | Jeremy M Beck | |
| P2860 | cites work | Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density | Q21708802 |
| | Density-functional exchange-energy approximation with correct asymptotic behavior | Q21709057 |
| | Mutagenesis of human acetylcholinesterase. Identification of residues involved in catalytic activity and in polypeptide folding | Q24294763 |
| | Conformational flexibility of the acetylcholinesterase tetramer suggested by x-ray crystallography | Q27619980 |
| | Structures of recombinant native and E202Q mutant human acetylcholinesterase complexed with the snake-venom toxin fasciculin-II | Q27627732 |
| | Crystal structures of acetylcholinesterase in complex with organophosphorus compounds suggest that the acyl pocket modulates the aging reaction by precluding the formation of the trigonal bipyramidal transition state | Q27644325 |
| | All-atom empirical potential for molecular modeling and dynamics studies of proteins | Q27860468 |
| | PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations | Q27861014 |
| | Atomic Structure of Acetylcholinesterase from Torpedo californica : A Prototypic Acetylcholine-Binding Protein | Q28247386 |
| | Mechanistic alternatives in phosphate monoester hydrolysis: what conclusions can be drawn from available experimental data? | Q30559481 |
| | Role of the catalytic triad and oxyanion hole in acetylcholinesterase catalysis: an ab initio QM/MM study | Q33961036 |
| | Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions | Q34975596 |
| | Selenocysteine in proteins-properties and biotechnological use. | Q36168897 |
| | A single amino acid substitution converts a carboxylesterase to an organophosphorus hydrolase and confers insecticide resistance on a blowfly | Q36658554 |
| | Evaluation of oxime efficacy in nerve agent poisoning: development of a kinetic-based dynamic model | Q46211331 |
| | A collaborative endeavor to design cholinesterase-based catalytic scavengers against toxic organophosphorus esters | Q46571439 |
| | Ab initio molecular orbital and density functional studies on the solvolysis of sarin and O,S-dimethyl methylphosphonothiolate, a VX-like compound | Q46764805 |
| | Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy. | Q51961792 |
| | DL_POLY_2.0: a general-purpose parallel molecular dynamics simulation package. | Q52303675 |
| | Allelic Genes in the Housefly Producing Modified Enzymes That Cause Organophosphate Resistance | Q52639489 |
| | Quantum mechanical continuum solvation models. | Q55041134 |
| | Fixation of the Two Tabun Isomers in Acetylcholinesterase: A QM/MM Study | Q58095093 |
| | Ageing and dealkylation of soman (pinacolylmethylphosphonofluoridate)-inactivated eel cholinesterase | Q72335377 |
| | Probing the acetylcholinesterase inhibition of sarin: a comparative interaction study of the inhibitor and acetylcholine with a model enzyme cavity | Q79842466 |
| | Phosphonylation mechanisms of sarin and acetylcholinesterase: a model DFT study | Q83111313 |
| P433 | issue | 1-3 | |
| P921 | main subject | potential energy | Q155640 |
| | sarin | Q187695 |
| P304 | page(s) | 220-224 | |
| P577 | publication date | 2010-02-13 | |
| P1433 | published in | Chemico-biological Interactions | Q14923137 |
| P1476 | title | Reaction profiles of the interaction between sarin and acetylcholinesterase and the S203C mutant: model nucleophiles and QM/MM potential energy surfaces | |
| P478 | volume | 187 | |