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Your search keyword '"Amaro, Rommie E."' showing total 26 results

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26 results on '"Amaro, Rommie E."'

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1. Spike-heparan sulfate interactions in SARS-CoV-2 infection

2. Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN

3. Benchmarking ensemble docking methods in D3R Grand Challenge 4

4. SARS-CoV-2 escape from a highly neutralizing COVID-19 convalescent plasma

5. Development of Dimethylisoxazole-Attached Imidazo[1,2‑a]pyridines as Potent and Selective CBP/P300 Inhibitors

6. Multiscale Simulations Examining Glycan Shield Effects on Drug Binding to Influenza Neuraminidase

7. Improving the Efficiency of Ligand-Binding Protein Design with Molecular Dynamics Simulations.

8. Continuous Evaluation of Ligand Protein Predictions: A Weekly Community Challenge for Drug Docking

9. Structural basis for ligand modulation of the CCR2 conformational landscape

10. Mechanisms for Benzene Dissociation through the Excited State of T4 Lysozyme L99A Mutant

11. D3R Grand Challenge 3: blind prediction of protein–ligand poses and affinity rankings

12. Dynamics and Molecular Mechanisms of p53 Transcriptional Activation

13. POVME 3.0: Software for Mapping Binding Pocket Flexibility

14. SEEKR: Simulation Enabled Estimation of Kinetic Rates, A Computational Tool to Estimate Molecular Kinetics and Its Application to Trypsin–Benzamidine Binding

15. Conserved patterns hidden within group A Streptococcus M protein hypervariability recognize human C4b-binding protein.

16. D3R grand challenge 2015: Evaluation of protein–ligand pose and affinity predictions

17. Microsecond Molecular Dynamics Simulations of Influenza Neuraminidase Suggest a Mechanism for the Increased Virulence of Stalk-Deletion Mutants

18. Model of the Ankyrin and SOCS Box Protein, ASB9, E3 Ligase Reveals a Mechanism for Dynamic Ubiquitin Transfer

19. Ensemble-Based Virtual Screening Reveals Potential Novel Antiviral Compounds for Avian Influenza Neuraminidase

20. Comparative chemical genomics reveal that the spiroindolone antimalarial KAE609 (Cipargamin) is a P-type ATPase inhibitor.

21. Ensemble-Based Computational Approach Discriminates Functional Activity of p53 Cancer and Rescue Mutants.

22. A Network of Conserved Interactions Regulates the Allosteric Signal in a Glutamine Amidotransferase.

23. Multistructural hot spot characterization with FTProd.

24. Distinct Glycan Topology for Avian and Human Sialopentasaccharide Receptor Analogues upon Binding Different Hemagglutinins: A Molecular Dynamics Perspective

25. Role of Secondary Sialic Acid Binding Sites in Influenza N1 Neuraminidase.

26. The substrate-binding cap of the UDP-diacylglucosamine pyrophosphatase LpxH is highly flexible, enabling facile substrate binding and product release.

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