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2. Chemoinformatics Methods for Studying Biomolecules

5. Substitutions at position 263 within the von Willebrand factor type A domain determine the functionality of complement C2 protein

6. Substitutions at position 263 within the von Willebrand factor type A domain determine the functionality of complement C2 protein

9. Gain-of-function mutations R249C and S250C in complement C2 protein increase C3 deposition in the presence of C-reactive protein

10. Meta-computations on the CLUSTERIX Grid

11. Gain-of-function mutation in complement C2 protein identified in a patient with aHUS

18. Optimization of the UNRES force field by hierarchical design of the potential-energy landscape. 3. Use of many proteins in optimization

19. Optimization of the UNRES force field by hierarchical design of the potential-energy landscape. 2. Off-lattice tests of the method with single proteins

20. Optimization of the UNRES force filed by hierarchical design of the potential-energy landscape. 1. Tests of the approach using simple lattice protein models

21. Parametrization of backbone-electrostatic and multibody contributions to the UNRES force field for protein-structure prediction from Ab initio energy surfaces of model systems

22. Disulfide bonding arrangements in active forms of the somatomedin B domain of human vitronectin

23. Substrate profiling of deubiquitin hydrolases with a positional scanning library and mass spectrometry

24. Determination of the potentials of mean force for rotation about C(super Alpha)-C(super Alpha) virtual bonds in polypeptides from the ab initio energy surfaces of terminally blocked glycine, alanine, and proline

25. Development of physics-based energy functions that predict medium-resolution structures for proteins of the alpha, beta, and alpha/beta structural classes

26. CAS MCSCF/CAS MCQDPT2 Study of the mechanism of singlet oxygen addition to 1,3-butadiene and benzene

34. An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12

37. Potential of mean force of hydrophobic association: dependence on solute size

38. Modification and optimization of the united-residue (UNRES) potential energy function for canonical simulations. I. Temperature dependence of the effective energy function and test of the optimization method with single training proteins

40. Meta-computations on the CLUSTERIX Grid

44. UNRES.

45. Exploration of the conformational space of oxytocin and arginine-vasopressin using the electrostatically driven Monte Carlo and molecular dynamics methods

48. Protein structure prediction with the UNRES force-field using Replica-Exchange Monte Carlo-with-Minimization; Comparison with MCM, CSA, and CFMC.

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