39 results on '"Karplus, M."'
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2. A Conformational Transition in the Myosin VI Converter Contributes to the Variable Step Size
3. Erratum to ‘Generalized ensembles serve to improve the convergence of free energy simulations’ [Chem. Phys. Lett. 377 (2003) 693–641]
4. Successful control of an Acinetobacter baumannii outbreak in a neonatal intensive care unit
5. Relation between sequence and structure of HIV-1 protease inhibitor complexes: a model system for the analysis of protein flexibility11Edited by R. Huber
6. Protein dynamics: from femtoseconds to milliseconds
7. Computer simulations of the OmpF porin from the outer membrane of Escherichia coli
8. The Meaning of Component Analysis: Decomposition of the Free Energy in Terms of Specific Interactions
9. pH Dependence of binding reactions from free energy simulations and macroscopic continuum electrostatic calculations: Application to 2′GMP/3′GMP binding to ribonuclease T1 and implications for catalysis
10. Ion transport in the gramicidin channel: molecular dynamics study of single and double occupancy
11. Three-dimensional models of four mouse mast cell chymases. Identification of proteoglycan binding regions and protease-specific antigenic epitopes.
12. Dynamical search for bis-penicillamine enkephalin conformations
13. Ion transport in a model gramicidin channel. Structure and thermodynamics
14. Discordant Hirschsprung's disease in monozygotic twins
15. A method for determining reaction paths in large molecules: Application to myoglobin
16. A new two-disulphide intermediate in the refolding of reduced bovine pancreatic trypsin inhibitor
17. Correlation energy contribution to the ammonia inversion barrier
18. The impact of prenatal care on the outcome of pregnancy
19. Dynamics of ligand binding to heme proteins
20. Cesarean section — A review of two annual periods separated by a ten-year interval
21. Dipolar NMR relaxation of nonprotonated aromatic carbons in proteins. Structural and dynamical effects
22. Molecular anatomy of the antibody binding site.
23. Determination of 3D molecular structures from NMR/NOE distance data: application to nucleic acids
24. Extended wave packet dynamics; exact solution for collinear atom, diatomic molecule scattering
25. Molecular dynamics of myoglobin at 298 degrees K. Results from a 300-ps computer simulation
26. Electrostatic effects of charge perturbations introduced by metal oxidation in proteins
27. Dynamics of proteins
28. Semiclassical trajectory approach to photoisomerization
29. Interdomain motion in liver alcohol dehydrogenase. Structural and energetic analysis of the hinge bending mode.
30. The normal modes of the gramicidin-A dimer channel
31. The pericardial “window”: A rare etiologic factor in neonatal pneumopericardium
32. Configurational entropy of native proteins
33. Internal dynamics of proteins. Short time and long time motions of aromatic sidechains in PTI
34. A model for electrostatic effects in proteins
35. Vibrational structure of electronic transitions in conjugated molecules
36. Electronic structure of cyanide complexes of hemes and heme proteins
37. On the origin of a low-lying forbidden transition in polyenes and related molecules
38. The self-consistent random phase approximation
39. Potential energy surfaces for simple chemical reactions: Li + F2 → LiF + F
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