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2,674 results on '"Biochemical Simulations"'

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1. How far are we from predicting multi‐drug interactions during treatment for COVID‐19 infection?

2. An investigation into dynamic and functional properties of prokaryotic signalling networks

4. Metabolic Tug-of-War between Glycolysis and Translation Revealed by Biochemical Reconstitution.

9. Large-scale, dynamin-like motions of the human guanylate binding protein 1 revealed by multi-resolution simulations.

10. Molecular basis of dengue virus serotype 2 morphological switch from 29°C to 37°C.

11. Scope and efficacy of the broad-spectrum topical antiseptic choline geranate.

12. Upgraded molecular models of the human KCNQ1 potassium channel.

13. Petri net–based model of the human DNA base excision repair pathway.

14. MHC binding affects the dynamics of different T-cell receptors in different ways.

15. Mechanical properties of tubulin intra- and inter-dimer interfaces and their implications for microtubule dynamic instability.

16. Comparative in silico study of congocidine congeners as potential inhibitors of African swine fever virus.

17. Nanosecond pulsed electric signals can affect electrostatic environment of proteins below the threshold of conformational effects: The case study of SOD1 with a molecular simulation study.

18. In silico study of colchicine resistance molecular mechanisms caused by tubulin structural polymorphism.

19. Specific inter-domain interactions stabilize a compact HIV-1 Gag conformation.

20. Gaussian curvature and the budding kinetics of enveloped viruses.

21. Identification of lead molecules against potential drug target protein MAPK4 from L. donovani: An in-silico approach using docking, molecular dynamics and binding free energy calculation.

22. Nucleotide substrate binding characterization in human pancreatic-type ribonucleases.

23. Identification of lysine methylation in the core GTPase domain by GoMADScan.

24. Multi-scale, numerical modeling of spatio-temporal signaling in cone phototransduction.

25. Cannabidiol binding and negative allosteric modulation at the cannabinoid type 1 receptor in the presence of delta-9-tetrahydrocannabinol: An In Silico study.

26. Evaluation of simulation models to mimic the distortions introduced into squiggles by nanopore sequencers and segmentation algorithms.

27. ACAP1 assembles into an unusual protein lattice for membrane deformation through multiple stages.

28. Structure, function and dynamics in acyl carrier proteins.

29. Full atomistic model of prion structure and conversion.

30. A structural model of the human serotonin transporter in an outward-occluded state.

31. Effects of gabergic phenols on the dynamic and structure of lipid bilayers: A molecular dynamic simulation approach.

32. In silico analysis of PFN1 related to amyotrophic lateral sclerosis.

33. Mathematical modelling reveals unexpected inheritance and variability patterns of cell cycle parameters in mammalian cells.

34. Exploring E-cadherin-peptidomimetics interaction using NMR and computational studies.

35. Conformational coupling by trans-phosphorylation in calcium calmodulin dependent kinase II.

36. Simulation of single-protein nanopore sensing shows feasibility for whole-proteome identification.

37. Reduced level of docosahexaenoic acid shifts GPCR neuroreceptors to less ordered membrane regions.

38. Securing the future of research computing in the biosciences.

39. Can we use rapid lifetime determination for fast, fluorescence lifetime based, metabolic imaging? Precision and accuracy of double-exponential decay measurements with low total counts.

40. Different modes of barrel opening suggest a complex pathway of ligand binding in human gastrotropin.

41. An integrative association method for omics data based on a modified Fisher’s method with application to childhood asthma.

42. Consequences of measurement error in qPCR telomere data: A simulation study.

43. Structural and molecular basis of angiotensin-converting enzyme by computational modeling: Insights into the mechanisms of different inhibitors.

44. Conservation of conformational dynamics across prokaryotic actins.

45. Implicit solvent systematic coarse-graining of dioleoylphosphatidylethanolamine lipids: From the inverted hexagonal to the bilayer structure.

46. Conformational ensemble of native α-synuclein in solution as determined by short-distance crosslinking constraint-guided discrete molecular dynamics simulations.

47. A theoretical analysis of single molecule protein sequencing via weak binding spectra.

48. Pharmacological and molecular dynamics analyses of differences in inhibitor binding to human and nematode PDE4: Implications for management of parasitic nematodes.

49. ChIPulate: A comprehensive ChIP-seq simulation pipeline.

50. Rapid interpretation of small-angle X-ray scattering data.

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