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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Evelyne Houang

3 results in Authors: Evelyne Houang

Biological and Medicinal Chemistry

Discovery of a novel class of D-amino acid oxidase (DAO) inhibitors with the Schrödinger computational platform

Haifeng Tang, Kristian Jensen, Evelyne Houang, Fiona McRobb, Sathesh Bhat, Mats Svensson, Art Bochevarov, Markus Dahlgren, Jeff Bell, Tyler Day, Leah Frye, Robert Skene, James Lewis, James Osborne, Jason Tierney, James Gordon, Maria Palomero-Vazquez, Caroline Gallati, Robert Chapman, Daniel Jones, Kim Hirst, Mark Sephton, Alka Chauhan, Andrew Sharpe, Piero Tardia, Elsa Dechaux, Andrea Taylor, Ross Waddell, Andrea Valentine, Holden Janssens, Omar Aziz, Dawn Bloomfield, Sandeep Ladha, Ian Fraser, John Ellard

Version 1 posted 20 October 2021

910

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Biological and Medicinal Chemistry

AutoDesigner, a De Novo Design Algorithm for Rapidly Exploring Large Chemical Space for Lead Optimization: Application to the Design and Synthesis of D-Amino Acid Oxidase Inhibitors

Pieter H Bos, Evelyne M. Houang, Fabio Ranalli, Abba E. Leffler, Nicholas A. Boyles, Volker A. Eyrich, Yuval Luria, Dana Katz, Haifeng Tang, Robert Abel, Sathesh Bhat

Version 1 posted 20 December 2021

1,212

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Theoretical and Computational Chemistry

The maximal and current accuracy of rigorous protein-ligand binding free energy calculations

Gregory A Ross, Chao Lu, Guido Scarabelli, Steven K. Albanese, Evelyne Houang, Robert Abel, Edward D. Harder, Lingle Wang

Version 2 posted 13 October 2023

1,474

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