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Aleksey Gerasyuto

3 results in Authors: Aleksey Gerasyuto

Theoretical and Computational Chemistry

AutoDesigner - Core Design, a De Novo Design Algorithm for Chemical Scaffolds: Application to the Design and Synthesis of Novel Selective Wee1 Inhibitors

Pieter Bos, Fabio Ranalli, Emelie Flood, Shawn Watts, Daigo Inoyama, Jennifer Knight, Anthony Clark, Andrew Placzeck, Jiashi Wang, Aleksey Gerasyuto, Sarah Silvergleid, Wu Yin, Shaoxian Sun, Robert Abel, Sathesh Bhat

Version 2 posted 14 June 2024

638

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Biological and Medicinal Chemistry

Discovery of a Novel Mutant-Selective Epidermal Growth Factor Receptor Inhibitor Using in silico Enabled Drug Discovery Platform

Hideyuki Igawa, Zef A. Konst, Eric Therrien, Mee Shelley, Heidi Koldsø, Pieter H. Bos, Ana Negri, Andreas Verras, Jiaye Guo, Markus Dahlgren, Adam Levinson, Brendan T. Parr, Suresh E. Kurhade, Prashant Latthe, Rajesha Shetty, Sridhar Santhanakrishnan, Katherine Amberg-Johnson, Alan Futran, Christian Atsriku, Robert Pelletier, Zhijian Liu, Jeffery A. Bell, Sathesh Bhat, Mats Svensson, Aleksey I. Gerasyuto

Version 2 posted 21 June 2024

445

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1

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Biological and Medicinal Chemistry

Harnessing free energy calculations to achieve kinome-wide selectivity in drug discovery campaigns: Wee1 case study

Jennifer Knight, Anthony Clark, Jiashi Wang, Andrew Placzeck, Pieter Bos, Sathesh Bhat, Jeffrey Bell, Sarah Silvergleid, Wu Yin, Felicia Gray, Shaoxian Sun, Karen Akinsanya, Robert Abel, Aleksey Gerasyuto

Version 1 posted 20 August 2024

432

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