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Relative Binding Free Energy Calculations in Drug Discovery: Recent  Advances and Practical Considerations | Journal of Chemical Information and  Modeling
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Identification of Optimal Ligand Growth Vectors Using an Alchemical  Free-Energy Method | Journal of Chemical Information and Modeling
Identification of Optimal Ligand Growth Vectors Using an Alchemical Free-Energy Method | Journal of Chemical Information and Modeling

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IJMS | Free Full-Text | Recent Advances in Coarse-Grained Models for  Biomolecules and Their Applications
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Gaussian Accelerated Molecular Dynamics: Unconstrained Enhanced Sampling  and Free Energy Calculation | Journal of Chemical Theory and Computation
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Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2.  Explicit Solvent Particle Mesh Ewald | Journal of Chemical Theory and  Computation
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Open Binding Pose Metadynamics: An Effective Approach for the Ranking of  Protein–Ligand Binding Poses | Journal of Chemical Information and Modeling
Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses | Journal of Chemical Information and Modeling

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IJMS | Free Full-Text | Identification of the Primary Factors Determining  the Specificity of Human VKORC1 Recognition by Thioredoxin-Fold Proteins
IJMS | Free Full-Text | Identification of the Primary Factors Determining the Specificity of Human VKORC1 Recognition by Thioredoxin-Fold Proteins

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