AMOEBA Force Field Trajectories Improve Predictions of Accurate pKa Values of the GFP Fluorophore: The Importance of Polarizability and Water Interactions | The Journal of Physical Chemistry B
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Molecules | Free Full-Text | Integrated System Pharmacology Approaches to Elucidate Multi-Target Mechanism of Solanum surattense against Hepatocellular Carcinoma
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Structural Studies Provide New Insights into the Role of Lysine Acetylation on Substrate Recognition by CARM1 and Inform the Design of Potent Peptidomimetic Inhibitors - Zhang - 2021 - ChemBioChem - Wiley Online Library
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An ancestral host defence peptide within human β-defensin 3 recapitulates the antibacterial and antiviral activity of the full-length molecule | Scientific Reports
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Molecules | Free Full-Text | The Involvement of Amino Acid Side Chains in Shielding the Nickel Coordination Site: An NMR Study
pKa Calculations in Solution and Proteins with QM/MM Free Energy Perturbation Simulations: A Quantitative Test of QM/MM Protocols | The Journal of Physical Chemistry B
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Comparative analysis reveals the species-specific genetic determinants of ACE2 required for SARS-CoV-2 entry | PLOS Pathogens
A tethered ligand assay to probe SARS-CoV-2:ACE2 interactions | PNAS
IJMS | Free Full-Text | Nitrogen Assimilation and Transport by Ex Planta Nitrogen-Fixing Bradyrhizobium diazoefficiens Bacteroids Is Modulated by Oxygen, Bacteroid Density and l-Malate
