Unlike other methods for docking ligands to the rigid 3D structure of a known protein receptor, Glide approximates a complete systematic search of the conformational, orientational, and positional space of the docked ligand. In this search, an initial rough positioning and scoring phase that dramatically narrows the search space is followed by torsionally flexible energy optimization on an OPLS-AA nonbonded potential grid for a few hundred surviving candidate poses. The very best candidates are further refined via a Monte Carlo sampling of pose conformation; in some cases, this is crucial to obtaining an accurate docked pose. Selection of the best docked pose uses a model energy function that combines empirical and force-field-based terms. Docking accuracy is assessed by redocking ligands from 282 cocrystallized PDB complexes starting from conformationally optimized ligand geometries that bear no memory of the correctly docked pose. Errors in geometry for the top-ranked pose are less than 1 A in nearly half of the cases and are greater than 2 A in only about one-third of them. Comparisons to published data on rms deviations show that Glide is nearly twice as accurate as GOLD and more than twice as accurate as FlexX for ligands having up to 20 rotatable bonds. Glide is also found to be more accurate than the recently described Surflex method.
Reported incidence ofclergysexual misconduct is on the risein theChristian church. Thisarticle reviews the literature describing thoseindividuals involved in such misconduct. Included in this review are the characteristics of clergy, mostly men, who perpetrate the sexualabuse of others and an overview of the individuals, mostly women, who are victimized. An examination of the repercussions of this type of power abuse is included. Finally, a briefreview describes what is being doneby two Christian churches faced with clergy who havecommitted sexual misconduct.
This introduction to this special section of the Journal of Counseling & Development explores the importance of a code of ethics to the establishment and maintenance of a profession. Recognizing a code of ethics as a communication of a profession's collective values and expectations, the editors of this special section acknowledge the dilemmas that arise when a counselor's personal values do not align with the profession's collective values. The authors of each article address value‐based conflicts in counseling.
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