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Published in International journal of molecular sciences (22.02.2024)
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Rigorous Free Energy Simulations in Virtual Screening
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Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery
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Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials
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Data Portal for the Library of Integrated Network-based Cellular Signatures (LINCS) program: integrated access to diverse large-scale cellular perturbation response data
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Year of Publication 25.08.2020
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Wu, Zhiyi, Dotson, David L., Alibay, Irfan, Allen, Bryce K., Barhaghi, Mohammad Soroush, Hénin, Jérôme, Joseph, Thomas T., Kenney, Ian M., Lee, Hyungro, Li, Haoxi, Lim, Victoria, Liu, Shuai, Marson, Domenico, Merz, Pascal T., Schlaich, Alexander, Mobley, David, Shirts, Michael R., Beckstein, Oliver
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Year of Publication 13.04.2023
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Chamberlain, Brian T, Tan, Dazhi, Rice, James M, Shechter, Sharon, Marino, Kristen A, Lin, Zhixiong, Jernigan, III, Finith E, Allen, Bryce K, Sherman, Woody, Kulkarni, Meghana M
Year of Publication 16.08.2022
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Year of Publication 16.08.2022
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