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2. A multiscale study on the mechanisms of spatial organization in ligand-receptor interactions on cell surfaces

3. A computational model for understanding the oligomerization mechanisms of TNF receptor superfamily

4. A computational study of co-inhibitory immune complex assembly at the interface between T cells and antigen presenting cells.

5. Understanding the Targeting Mechanisms of Multi-Specific Biologics in Immunotherapy with Multiscale Modeling

6. Cadherin clusters stabilized by a combination of specific and nonspecific cis-interactions

7. Using Coarse-Grained Simulations to Characterize the Mechanisms of Protein–Protein Association

13. Study on site selection for a cruise home port in the Yangtze River Delta region from the perspective of safety

14. Hot deformation behavior and dynamic recrystallization kinetic modeling of the Mg–7Gd–3Y–1Zn–0.5Zr alloy

15. EXCESP: A Structure-Based Online Database for Extracellular Interactome of Cell Surface Proteins in Humans

16. Dissecting the General Mechanisms of Protein Cage Self-assembly by Coarse-grained Simulations

17. Computational Simulation of Holin S105 in Membrane Bilayer and Its Dimerization Through a Helix-Turn-Helix Motif

18. Characterizing the function of domain linkers in regulating the dynamics of multi‐domain fusion proteins by microsecond molecular dynamics simulations and artificial intelligence

19. Computational Analyses of the Interactome between TNF and TNFR Superfamilies

20. How does the same ligand activate signaling of different receptors in TNFR superfamily: a computational study

21. Understanding the Impacts of Conformational Dynamics on the Regulation of Protein–Protein Association by a Multiscale Simulation Method

22. Effect of extrusion ratio on microstructures, mechanical properties, and high cycle fatigue behavior of Mg–5Zn–1Mn alloy

24. Effects of Sn on the electrochemistry and discharge performances of as-extruded Mg-1.2Ga as an anode for Mg-air batteries

25. A computational model for understanding the oligomerization mechanisms of TNF receptor superfamily

27. Methane Clathrate Formation is Catalyzed and Kinetically Inhibited by the Same Molecule: Two Facets of Methanol

28. Coarse-grained simulations of phase separation driven by DNA and its sensor protein cGAS

29. Understanding the impacts of cellular environments on ligand binding of membrane receptors by computational simulations

32. A multiscale study on the mechanisms of spatial organization in ligand-receptor interactions on cell surfaces

33. Mechanistic dissection of spatial organization in NF-κB signaling pathways by hybrid simulations

34. A computational study of co-inhibitory immune complex assembly at the interface between T cells and antigen presenting cells

36. Understand the Functions of Scaffold Proteins in Cell Signaling by a Mesoscopic Simulation Method

37. A Systematic Test of Receptor Binding Kinetics for Ligands in Tumor Necrosis Factor Superfamily by Computational Simulations

38. A Multiscale and Comparative Model for Receptor Binding of 2019 Novel Coronavirus and the Implication of its Life Cycle in Host Cells

39. Molecular interactions accounting for protein denaturation by urea

41. Multiscale Simulation Unravel the Kinetic Mechanisms of Inflammasome Assembly

42. Computational simulations of TNF receptor oligomerization on plasma membrane

43. Thermodynamic Stability of Polar and Nonpolar Amyloid Fibrils

44. Research on Child-Friendly Evaluation and Optimization Strategies for Rural Public Spaces

45. Computational studies of protein-protein dissociation by statistical potential and coarse-grained simulations: a case study on interactions between colicin E9 endonuclease and immunity proteins

46. Computational Assessment of Protein-protein Binding Affinity by Reversely Engineering the Energetics in Protein Complexes

47. Effects of Trimethylamine- N-oxide (TMAO) on Hydrophobic and Charged Interactions

48. Thermodynamics of Aβ16-21dissociation from a fibril: Enthalpy, entropy, and volumetric properties

49. Effects of Trimethylamine- N -oxide on the Conformation of Peptides and its Implications for Proteins

50. Steady state minority carrier lifetime and defect level occupation in thin film CdTe solar cells

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