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In Silico Drug Repurposing for SARS-CoV‑2 Main Proteinase and Spike Proteins
Free accessAmerican Chemical Society | 2020| -
Improved Computation of Protein–Protein Relative Binding Energies with the Nwat-MMGBSA Method
American Chemical Society | 2016| -
Explicit Ligand Hydration Shells Improve the Correlation between MM-PB/GBSA Binding Energies and Experimental Activities
American Chemical Society | 2013| -
Origin of Helical Screw Sense Selectivity Induced by Chiral Constrained Cα-Tetrasubstituted α‑Amino Acids in Aib-based Peptides
American Chemical Society | 2015| -
Tuning the Solvation Term in the MM-PBSA/GBSA Binding Affinity Predictions
Bentham Science Publishers | 2015| -
Differences in thermal structural changes and melting between mesophilic and thermophilic dihydrofolate reductase enzymes
Royal Society of Chemistry | 2020| -
Advances in the Treatment of Explicit Water Molecules in Docking and Binding Free Energy Calculations
Bentham Science Publishers | 2019| -
Mechanism of Stabilization of Helix Secondary Structure by Constrained Cα-Tetrasubstituted α‑Amino Acids
American Chemical Society | 2015| -
An Efficient Implementation of the Nwat-MMGBSA Method to Rescore Docking Results in Medium-Throughput Virtual Screenings
Free accessChemRxiv | 2017| -
The functionality of a therapeutic antibody candidate restored by a single mutation from proline to threonine in the variable region
Free accessTaylor & Francis Verlag | 2023| -
Model peptides containing the 3-sulfanyl-norbornene amino acid, a conformationally constrained cysteine analogue effective inducer of 310-helix secondary structures
National licenceRoyal Society of Chemistry | 2015|
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