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pKa Based Protonation States and Microspecies for Protein–ligand Docking
Journal of Computer-Aided Molecular Design
Theoretical Chemistry
Drug Discovery
Computer Science Applications
Physical
Molecular Orbital Study of the Formation of Intramolecular Hydrogen Bonding of a Ligand Molecule in a Protein Aromatic Hydrophobic Pocket
Chemical and Pharmaceutical Bulletin
Medicine
Drug Discovery
Chemistry
Atomistic Ensemble Modeling and Small-Angle Neutron Scattering of Intrinsically Disordered Protein Complexes: Applied to Minichromosome Maintenance Protein
Biophysical Journal
Biophysics
The Role and Molecular Mechanism of Action of Surfactant Protein D in Innate Host Defense Against Influenza a Virus
Frontiers in Immunology
Allergy
Immunology
Host-Guest Interaction of Β-Cyclodextrin With Isomeric Ursolic Acid and Oleanolic Acid: Physicochemical Characterization and Molecular Modeling Study
Journal of Biomedical Research
Biochemistry
Medicine
Genetics
Molecular Biology
All-Atom Steered Molecular Dynamics Simulations of Large Proteins in a Small Water Box
Biophysical Journal
Biophysics
Tunable Electron Donating and Accepting Properties Achieved by Modulating the Steric Hindrance of Side Chains in ADA Small-Molecule Photovoltaic Materials
The Docking of Protein DPP4 and Drug Molecules for Type 2 Diabetes
Advances in Clinical Medicine
Revealing the Molecular Structure of Single-Molecule Junctions in Different Conductance States by Fishing-Mode Tip-Enhanced Raman Spectroscopy
Nature Communications
Astronomy
Genetics
Molecular Biology
Biochemistry
Chemistry
Physics
Development of a Molecular Taxonomy of Small Blue Round-Cell Tumors Using cDNA Microarrays
Nature Genetics
Genetics
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