Prehľad vzpriamený divadlo affinities of ligands for cyclodextrins calculation zvonček Vetchý snaha
Opioid receptor binding affinities of ligands [K i nMAESEM)] | Download Table
β-Cyclodextrin - Polysciences
Affinity Calculations of Cyclodextrin Host–Guest Complexes: Assessment of Strengths and Weaknesses of End-Point Free Energy Methods | Journal of Chemical Information and Modeling
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
IJMS | Free Full-Text | Quantum Mechanical Assessment of Protein– Ligand Hydrogen Bond Strength Patterns: Insights from Semiempirical Tight-Binding and Local Vibrational Mode Theory
Conformational free energy calculations and conformation-specific RBFE... | Download Scientific Diagram
Pharmaceuticals | Free Full-Text | Inclusion Complexes of Rifampicin with Native and Derivatized Cyclodextrins: In Silico Modeling, Formulation, and Characterization
Calculation of Cyclodextrin Binding Affinities: Energy, Entropy, and Implications for Drug Design - ScienceDirect
The Tower of Binding Free Energy Calculations. Built on the simple... | Download Scientific Diagram
Calculation of Absolute Protein-Ligand Binding Affinity Using Path and Endpoint Approaches: Biophysical Journal
Molecular View into the Cyclodextrin Cavity: Structure and Hydration | ACS Omega
Calculation of Configurational Entropy with a Boltzmann–Quasiharmonic Model: The Origin of High-Affinity Protein–Ligand Binding | The Journal of Physical Chemistry B
Molecules | Free Full-Text | Conjugated β-Cyclodextrin Enhances the Affinity of Folic Acid towards FRα: Molecular Dynamics Study
Calculation of Cyclodextrin Binding Affinities: Energy, Entropy, and Implications for Drug Design - ScienceDirect
Accurate absolute free energies for ligand–protein binding based on non-equilibrium approaches | Communications Chemistry
Cholesterol Recognition and Binding by Cyclodextrin Dimers | Journal of the American Chemical Society
Calculation of Cyclodextrin Binding Affinities: Energy, Entropy, and Implications for Drug Design - ScienceDirect
Calculation of Absolute Protein-Ligand Binding Affinity Using Path and Endpoint Approaches: Biophysical Journal
Frontiers | Cyclodextrin nanoparticles for diagnosis and potential cancer therapy: A systematic review
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 | The Effect of Alkali Iodide Salts in the Inclusion Process of Phenolphthalein in β-Cyclodextrin: A Spectroscopic and Theoretical Study
PDF] Calculation of cyclodextrin binding affinities: energy, entropy, and implications for drug design. | Semantic Scholar
Affinity Calculations of Cyclodextrin Host–Guest Complexes: Assessment of Strengths and Weaknesses of End-Point Free Energy Methods | Journal of Chemical Information and Modeling
Accurate Estimation of Ligand Binding Affinity Changes upon Protein Mutation | ACS Central Science