Stereoselectivity of phosphotriesterase with paraoxon derivatives: a computational study

3D Flexible Alignment Using 2D Maximum Common Substructure: Dependence of Prediction Accuracy on Target-Reference Chemical Similarity

(2014) Takeshi Kawabata et al.   Journal of Chemical Information and Modeling

A guide to small-molecule structure assignment through computation of (1H and 13C) NMR chemical shifts

(2014) Patrick H Willoughby et al.   Nature Protocols

Engineering V-Type Nerve Agents Detoxifying Enzymes Using Computationally Focused Libraries

(2013) Izhack Cherny et al.   ACS Chemical Biology

Molecular Engineering of Organophosphate Hydrolysis Activity from a Weak Promiscuous Lactonase Template

(2013) Monika M. Meier et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enzymatic Neutralization of the Chemical Warfare Agent VX: Evolution of Phosphotriesterase for Phosphorothiolate Hydrolysis

(2013) Andrew N. Bigley et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Effect of Conformational Variability of Phosphotriesterase upon N-acyl-L-homoserine Lactone and Paraoxon Binding: Insights from Molecular Dynamics Studies

(2013) Dongling Zhan et al.   MOLECULES

Enzymes for the Homeland Defense: Optimizing Phosphotriesterase for the Hydrolysis of Organophosphate Nerve Agents

(2012) Ping-Chuan Tsai et al.   BIOCHEMISTRY

Reconstructing a Missing Link in the Evolution of a Recently Diverged Phosphotriesterase by Active-Site Loop Remodeling

(2012) Livnat Afriat-Jurnou et al.   BIOCHEMISTRY

Synthesis, biological evaluation and SAR studies of benzimidazole derivatives as H1-antihistamine agents

(2012) Xiao Jian Wang et al.   CHINESE CHEMICAL LETTERS

Exploring the Molecular Mechanism of Stabilization of the Adhesion Domains of Human CD2 by N-Glycosylation

(2012) Xing Y. Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations

(2012) R. Anandakrishnan et al.   NUCLEIC ACIDS RESEARCH

Redesigning the active site of a carboxyl esterase from the archaeon Archaeoglobus fulgidus to improve sensitivity to organophosphorus compounds

(2012) Yuexi Wang et al.   PROCESS BIOCHEMISTRY

Structural Determinants for the Stereoselective Hydrolysis of Chiral Substrates by Phosphotriesterase

(2010) Ping-Chuan Tsai et al.   BIOCHEMISTRY

Stereoselective Hydrolysis of Organophosphate Nerve Agents by the Bacterial Phosphotriesterase

(2010) Ping-Chuan Tsai et al.   BIOCHEMISTRY

Structure of Diethyl Phosphate Bound to the Binuclear Metal Center of Phosphotriesterase†‡

(2008) Jungwook Kim et al.   BIOCHEMISTRY

In Crystallo Capture of a Michaelis Complex and Product-binding Modes of a Bacterial Phosphotriesterase

(2007) Colin J. Jackson et al.   JOURNAL OF MOLECULAR BIOLOGY