Search Result "MDmix."


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Extracting Atomic Contributions to Binding Free Energy Using MolecularDynamics Simulations with Mixed Solvents (MDmix)

Journal: Current Drug Discovery Technologies
Volume: 19 Issue: 2 Year: 2022 Page: 62-68
Author(s): Peter Schmidtke,Elena Cubero,Xavier Barril

Review Article

Introduction of Advanced Methods for Structure-based Drug Discovery

Journal: Current Bioinformatics
Volume: 16 Issue: 3 Year: 2021 Page: 351-363
Author(s): Bilal Shaker,Kha Mong Tran,Chanjin Jung,Dokyun Na

Structure-Based Virtual Screening for Drug Discovery: Principles, Applications and Recent Advances

Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 16 Year: 2014 Page: 1923-1938
Author(s): Evanthia Lionta,George Spyrou,Demetrios K. Vassilatis,Zoe Cournia

Review Article

Virtual Screening for the Development of Dual-Inhibitors Targeting Topoisomerase IB and Tyrosyl-DNA Phosphodiesterase 1

Journal: Current Drug Targets
Volume: 18 Issue: 5 Year: 2017 Page: 544-555
Author(s): Francesca Cardamone,Simone Pizzi,Federico Iacovelli,Mattia Falconi,Alessandro Desideri

Review Article

Virtual Screening Techniques in Drug Discovery: Review and Recent Applications

Journal: Current Topics in Medicinal Chemistry
Volume: 19 Issue: 19 Year: 2019 Page: 1751-1767
Author(s): Sheisi F.L. da Silva Rocha,Carolina G. Olanda,Harold H. Fokoue,Carlos M.R. Sant'Anna

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