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· publication by Schrödinger author
·Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrödinger Computational Platform
Haifeng Tang, et al.
Journal of Medicinal Chemistry, 2022, 65(9), 6775-6802View
Small Molecule Drug Discovery
·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, and Sathesh Bhat
JCIM, 2022, 62(8), 1905-1915View
Small Molecule Drug Discovery
·Impacting Drug Discovery Projects with Large-Scale Enumerations, Machine Learning Strategies, and Free-Energy Predictions
Jennifer L. Knight, Karl Leswing, Pieter H. Bos, and Lingle Wang
Free Energy Methods in Drug Discovery, 2021, 1397, 205-226View
Small Molecule Drug Discovery
·Efficient Exploration of Chemical Space with Docking and Deep-Learning
Ying Yang, Kun Yao, Matthew P. Repasky, Karl Leswing, Robert Abel, Brian K. Shoichet, and Steven V. Jerome
ACS Publications, 2021, 17(11), 7106-7119View