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Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery.

T. Lee, B. Allen, T. Giese, Z. Guo, P. Li, C. Lin, T. Jr., D. Pearlman, B. Radak, Y. Tao, H. Tsai, H. Xu, W. Sherman, and D. York. J. Chem. Inf. Model., 60 (11): 5595-5623 (2020)

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Timothy J Stone

Timothy J Mehigan

Timothy Saunders

Timothy Sulo

Timothy Leung

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Extension of adaptive tree code and fast multipole methods to high angular momentum particle charge densities.T. Giese, and D. York. J. Comput. Chem., 29 (12): 1895-1904 (2008)Nucleic acid reactivity: Challenges for next-generation semiempirical quantum models.M. Huang, T. Giese, and D. York. J. Comput. Chem., 36 (18): 1370-1389 (2015)GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features.T. Lee, D. Cerutti, D. Mermelstein, C. Lin, S. LeGrand, T. Giese, A. Roitberg, D. Case, R. Walker, and D. York. J. Chem. Inf. Model., 58 (10): 2043-2050 (2018)Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery.T. Lee, B. Allen, T. Giese, Z. Guo, P. Li, C. Lin, T. Jr., D. Pearlman, B. Radak, Y. Tao and 4 other author(s). J. Chem. Inf. Model., 60 (11): 5595-5623 (2020)AmberTools.D. Case, H. Aktulga, K. Belfon, D. Cerutti, G. Cisneros, V. Cruzeiro, N. Forouzesh, T. Giese, A. Götz, H. Gohlke and 37 other author(s). J. Chem. Inf. Model., 63 (20): 6183-6191 (October 2023)CHARMM-GUI Free Energy Calculator for Practical Ligand Binding Free Energy Simulations with AMBER.H. Zhang, S. Kim, T. Giese, T. Lee, J. Lee, D. York, and W. Im. J. Chem. Inf. Model., 61 (9): 4145-4151 (2021)AMBER Drug Discovery Boost Tools: Automated Workflow for Production Free-Energy Simulation Setup and Analysis (ProFESSA).A. Ganguly, H. Tsai, M. Fernández-Pendás, T. Lee, T. Giese, and D. York. J. Chem. Inf. Model., 62 (23): 6069-6083 (2022)

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Disambiguation of "Giese, Timothy J."

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Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery.

Please choose a person to relate this publication to

Timothy J Stone

Timothy J Mehigan

Timothy Saunders

Timothy Sulo

Timothy Leung

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Giese, Timothy J."

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery.

Please choose a person to relate this publication to

Timothy J Stone

Timothy J Mehigan

Timothy Saunders

Timothy Sulo

Timothy Leung

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
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URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
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Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery.