화학공학소재연구정보센터
검색결과 : 43건
No. Article
1 Dynamic Nuclear Polarization Magic-Angle Spinning Nuclear Magnetic Resonance Combined with Molecular Dynamics Simulations Permits Detection of Order and Disorder in Viral Assemblies
Gupta R, Zhang HL, Lu MM, Hou GJ, Caporini M, Rosay M, Maas W, Struppe J, Ahn J, Byeon IJL, Oschkinat H, Jaudzems K, Barbet-Massin E, Emsley L, Pintacuda G, Lesage A, Gronenborn AM, Polenova T
Journal of Physical Chemistry B, 123(24), 5048, 2019
2 Measurement of Accurate Interfluorine Distances in Crystalline Organic Solids: A High-Frequency Magic Angle Spinning NMR Approach
Fritz M, Kraus J, Quinn CM, Yap GPA, Struppe J, Sergeyev IV, Gronenborn AM, Polenova T
Journal of Physical Chemistry B, 123(50), 10680, 2019
3 DNP NMR of biomolecular assemblies
Jaudzems K, Polenova T, Pintacuda G, Oschkinat H, Lesage A
Journal of Structural Biology, 206(1), 90, 2019
4 Editorial for Special Issue "Structure and dynamics of biomolecular assemblies by solid-state NMR"
Polenova T, Goldbourt A, Pintacuda G
Journal of Structural Biology, 207(2), 103, 2019
5 F-19 Dynamic Nuclear Polarization at Fast Magic Angle Spinning for NMR of HIV-1 Capsid Protein Assemblies
Lu MM, Wang MZ, Sergeyev IV, Quinn CM, Struppe J, Rosay M, Maas W, Gronenborn AM, Polenova T
Journal of the American Chemical Society, 141(14), 5681, 2019
6 Chemical Shifts of the Carbohydrate Binding Domain of Galectin-3 from Magic Angle Spinning NMR and Hybrid Quantum Mechanics/Molecular Mechanics Calculations
Kraus J, Gupta R, Yehl J, Lu M, Case DA, Gronenborn AM, Akke M, Polenova T
Journal of Physical Chemistry B, 122(11), 2931, 2018
7 F-19 Magic Angle Spinning NMR Spectroscopy and Density Functional Theory Calculations of Fluorosubstituted Tryptophans: Integrating Experiment and Theory for Accurate Determination of Chemical Shift Tensors
Lu MM, Sarkar S, Wang MZ, Kraus J, Fritz M, Quinn CM, Bai S, Holmes ST, Dybowski C, Yap GPA, Struppe J, Sergeyev IV, Maas W, Gronenborn AM, Polenova T
Journal of Physical Chemistry B, 122(23), 6148, 2018
8 Toward Closing the Gap: Quantum Mechanical Calculations and Experimentally Measured Chemical Shifts of a Microcrystalline Lectin
Fritz M, Quinn CM, Wang MZ, Hou GJ, Lu XG, Koharudin LMI, Polenova T, Gronenborn AM
Journal of Physical Chemistry B, 121(15), 3574, 2017
9 CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations
Perilla JR, Zhao GP, Lu MM, Ning JY, Hou GJ, Byeon IJL, Gronenborn AM, Polenova T, Zhang PJ
Journal of Physical Chemistry B, 121(15), 3853, 2017
10 Dynamic Nuclear Polarization Enhanced MAS NMR Spectroscopy for Structural Analysis of HIV-1 Protein Assemblies
Gupta R, Lu MM, Hou GJ, Caporini MA, Rosay M, Maas W, Struppe J, Suiter C, Ahn J, Byeon IJL, Franks WT, Orwick-Rydmark M, Bertarello A, Oschkinat H, Lesage A, Pintacuda G, Gronenborn AM, Polenova T
Journal of Physical Chemistry B, 120(2), 329, 2016