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– Winter 2006 Newsletters

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Recent publications

Below are recently published papers highlighting applications using Schrödinger software:

Friesner, R.A.; Murphy, R. B.; Repasky, M. P.; Frye, L. L.; Greenwood, J. R.; Halgren,T. A.; Sanschagrin, P. C.; Mainz, D. T., "Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein-Ligand Complexes", J. Med. Chem., 2006, 49, 6177–6196.

Lyne, P. D.; Lamb, M. L.; Saeh, J. C., "Accurate Prediction of the Relative Potencies of Members of a Series of Kinase Inhibitors Using Molecular Docking and MM-GBSA Scoring", J. Med. Chem., 2006, 49, 4805–4808.

Ragusa, A.; Hayes, J. M.; Light, M. E.; Kilburn, J. D., "Predicting Enantioselectivity: Computation as an Efficient "Experimental" Tool for Probing Enantioselectivity", Eur. J. Org. Chem., 2006, 2006, 3545–3549.

 

Table of Contents

Extra Precision (XP) Docking and Scoring: An Overview

Richard A. Friesner, Schrödinger Scientific Advisory Board Chairman

Phase: A Versatile Engine for Pharmacophore Perception, 3D QSAR Model Development and 3D Database Screening

Steve Dixon, Phase Product Manager

Smoothing research speed bumps with Schrödinger scripts

Woody Sherman, Director of Applications Science

Recent publications

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