Molecules | Free Full-Text | Conjugated β-Cyclodextrin Enhances the Affinity of Folic Acid towards FRα: Molecular Dynamics Study
Symmetry | Free Full-Text | Predicting Value of Binding Constants of Organic Ligands to Beta-Cyclodextrin: Application of MARSplines and Descriptors Encoded in SMILES String
Molecules | Free Full-Text | Adjusting the Structure of β-Cyclodextrin to Improve Complexation of Anthraquinone-Derived Drugs
Evaluating the use of absolute binding free energy in the fragment optimisation process | Communications Chemistry
Calculation of Cyclodextrin Binding Affinities: Energy, Entropy, and Implications for Drug Design - ScienceDirect
![Opioid receptor binding affinities of ligands [K i nMAESEM)] | Download Table](https://www.researchgate.net/publication/9052722/figure/tbl1/AS:648588279431169@1531646904374/Opioid-receptor-binding-affinities-of-ligands-K-i-nMAESEM.png "Opioid receptor binding affinities of ligands [K i nMAESEM)] | Download Table")
Opioid receptor binding affinities of ligands [K i nMAESEM)] | Download Table
Host−Guest Complexes with Protein−Ligand-like Affinities: Computational Analysis and Design | Journal of the American Chemical Society
Accurate Estimation of Ligand Binding Affinity Changes upon Protein Mutation | ACS Central Science
Pharmaceuticals | Free Full-Text | Inclusion Complexes of Rifampicin with Native and Derivatized Cyclodextrins: In Silico Modeling, Formulation, and Characterization
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PDF] Calculation of cyclodextrin binding affinities: energy, entropy, and implications for drug design. | Semantic Scholar
Calculation of Cyclodextrin Binding Affinities: Energy, Entropy, and Implications for Drug Design - ScienceDirect
Validation and Comparison of Force Fields for Native Cyclodextrins in Aqueous Solution | The Journal of Physical Chemistry B
Synthesis and Characterization of an Inclusion Complex of dl-Aminoglutethimide with β-Cyclodextrin and Its Innovative Application in a Biological System: Computational and Experimental Investigations | ACS Omega
β-Cyclodextrin - Polysciences
IJMS | Free Full-Text | Quantum Mechanical Assessment of Protein– Ligand Hydrogen Bond Strength Patterns: Insights from Semiempirical Tight-Binding and Local Vibrational Mode Theory
Synthesis and Unprecedented Complexation Properties of β-Cyclodextrin-Based Ligand for Lanthanide Ions | Inorganic Chemistry
Frontiers | Recent Developments in Free Energy Calculations for Drug Discovery
Conformational free energy calculations and conformation-specific RBFE... | Download Scientific Diagram
Affinity Calculations of Cyclodextrin Host–Guest Complexes: Assessment of Strengths and Weaknesses of End-Point Free Energy Methods | Journal of Chemical Information and Modeling
Promoter G-Quadruplex Binding Styryl Benzothiazolium Derivative for Applications in Ligand Affinity Ranking and as Ethidium Bromide Substitute in Gel Staining | ACS Applied Bio Materials
Frontiers | Cyclodextrin nanoparticles for diagnosis and potential cancer therapy: A systematic review
Molecules | Free Full-Text | Conductometric Studies of Formation the Inclusion Complexes of Phenolic Acids with β-Cyclodextrin and 2-HP-β-Cyclodextrin in Aqueous Solutions
Calculation of Absolute Protein-Ligand Binding Affinity Using Path and Endpoint Approaches: Biophysical Journal
