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NMR processing:
MDD
NMR assignment:
Backbone:
Autoassign
MARS
UNIO Match
PINE
Side-chains:
UNIO ATNOS-Ascan
NOEs:
UNIO ATNOS-Candid
UNIO Candid
ASDP
Structure from NMR restraints:
Ab initio:
GeNMR
Cyana
XPLOR-NIH
ASDP
UNIO ATNOS-Candid
UNIO Candid
Fragment-based:
BMRB CS-Rosetta
Rosetta-NMR (Robetta)
Template-based:
GeNMR
I-TASSER
Refinement:
Amber
Structure from chemical shifts:
Fragment-based:
WeNMR CS-Rosetta
BMRB CS-Rosetta
Homology-based:
CS23D
Simshift
Torsion angles from chemical shifts:
Preditor
TALOS
Promega- Proline
Secondary structure from chemical shifts:
CSI (via RCI server)
TALOS
MICS caps, β-turns
d2D
PECAN
Flexibility from chemical shifts:
RCI
Interactions from chemical shifts:
HADDOCK
Chemical shifts re-referencing:
Shiftcor
UNIO Shiftinspector
LACS
CheckShift
RefDB
NMR model quality:
NOEs, other restraints:
PROSESS
PSVS
RPF scores
iCing
Chemical shifts:
PROSESS
CheShift2
Vasco
iCing
RDCs:
DC
Anisofit
Pseudocontact shifts:
Anisofit
Protein geomtery:
Resolution-by-Proxy
PROSESS
What-If
iCing
PSVS
MolProbity
SAVES2 or SAVES4
Vadar
Prosa
ProQ
MetaMQAPII
PSQS
Eval123D
STAN
Ramachandran Plot
Rampage
ERRAT
Verify_3D
Harmony
Quality Control Check
NMR spectrum prediction:
FANDAS
MestReS
V-NMR
Flexibility from structure:
Backbone S2
Methyl S2
B-factor
Molecular dynamics:
Gromacs
Amber
Antechamber
Chemical shifts prediction:
From structure:
Shiftx2
Sparta+
Camshift
CH3shift- Methyl
ArShift- Aromatic
ShiftS
Proshift
PPM
CheShift-2- Cα
From sequence:
Shifty
Camcoil
Poulsen_rc_CS
Disordered proteins:
MAXOCC
Format conversion & validation:
CCPN
From NMR-STAR 3.1
Validate NMR-STAR 3.1
NMR sample preparation:
Protein disorder:
DisMeta
Protein solubility:
camLILA
ccSOL
Camfold
camGroEL
Zyggregator
Isotope labeling:
UPLABEL
Solid-state NMR:
sedNMR

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Go to first new post [NMR] PhD thesis proposal (Paris Montpellier, France) - October 2020 #DNPNMR
From The DNP-NMR Blog: PhD thesis proposal (Paris Montpellier, France) - October 2020 #DNPNMR Dear colleagues,
nmrlearner
Yesterday 08:10 PM
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0 2 News from NMR blogs
Go to first new post [NMR] Permanent position for a researcher - staff scientist at CEA Grenoble in DNP-enhanced solid-state NMR #DNPNMR
From The DNP-NMR Blog: Permanent position for a researcher - staff scientist at CEA Grenoble in DNP-enhanced solid-state NMR #DNPNMR Permanent position opening for a researcher - staff scientist at CEA Grenoble In the field of DNP-enhanced solid-state NMR
nmrlearner
Yesterday 08:10 PM
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0 2 News from NMR blogs
Go to first new post The surface chemistry of a nanocellulose drug carrier unravelled by MAS-DNP #DNPNMR
From The DNP-NMR Blog: The surface chemistry of a nanocellulose drug carrier unravelled by MAS-DNP #DNPNMR Kumar, Akshay, Hippolyte Durand, Elisa Zeno, Cyril Balsollier, Bastien Watbled, Cecile Sillard, Sébastien Fort, et al. “The Surface Chemistry of a Nanocellulose Drug Carrier Unravelled by MAS-DNP.” Chemical Science, 2020, 10.1039.C9SC06312A. https://doi.org/10.1039/C9SC06312A.
nmrlearner
Yesterday 08:10 PM
by nmrlearner Go to last post
0 3 News from NMR blogs
Go to first new post DNP and Cellular Solid-state NMR #DNPNMR
From The DNP-NMR Blog: DNP and Cellular Solid-state NMR #DNPNMR Paioni, Alessandra Lucini, Marie A M Renault, and Marc Baldus. “DNP and Cellular Solid-State NMR,” 7:12, 2018. https://onlinelibrary.wiley.com/doi/abs/10.1002/9780470034590.emrstm1561. Solid-state nuclear magnetic resonance (ssNMR) can provide structural information at the most detailed level and, at the same time, is applicable in highly heterogeneous and complex molecular environments, largely irrespective of solubility or crystallinity. Revolutionary developments in the field of dynamic nuclear polarization (DNP)...
nmrlearner
Yesterday 08:10 PM
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0 2 News from NMR blogs
Go to first new post Nitroxide Derivatives for Dynamic Nuclear Polarization in Liquids: The Role of Rotational Diffusion #DNPNMR
From The DNP-NMR Blog: Nitroxide Derivatives for Dynamic Nuclear Polarization in Liquids: The Role of Rotational Diffusion #DNPNMR Levien, M., M. Hiller, I. Tkach, M. Bennati, and T. Orlando. “Nitroxide Derivatives for Dynamic Nuclear Polarization in Liquids: The Role of Rotational Diffusion.” The Journal of Physical Chemistry Letters 11, no. 5 (March 5, 2020): 1629–35. https://doi.org/10.1021/acs.jpclett.0c00270. Polarization transfer efficiency in liquid-state dynamic nuclear polarization (DNP) depends on the interaction between polarizing agents (PAs) and target nuclei...
nmrlearner
Yesterday 08:10 PM
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0 3 News from NMR blogs
Go to first new post [NMR] Dr. Ieva Goldberga | 10th DNP/NMR Educational Tutorial on July 10
From The DNP-NMR Blog: Dr. Ieva Goldberga | 10th DNP/NMR Educational Tutorial on July 10 Dear NMR Enthusiast, The 10th Educational Tutorial will be given by Dr. Ieva Goldberga, a postdoc in Prof. Danielle Laurencin's lab at University of Montpellier on the topic:
nmrlearner
Yesterday 08:10 PM
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0 2 News from NMR blogs
Go to first new post [NMR] 2nd PhD Position in Dissolution DNP at the University of Vienna #DNPNMR
From The DNP-NMR Blog: 2nd PhD Position in Dissolution DNP at the University of Vienna #DNPNMR Dear colleagues, a 2nd 4-year Ph.D. position at the institute of biological chemistry at the University of Vienna is available in the field of dissolution DNP with a special focus on biomineralization.
nmrlearner
Yesterday 08:10 PM
by nmrlearner Go to last post
0 2 News from NMR blogs
Go to first new post Postdoc position available at Takeda
From The DNP-NMR Blog: Postdoc position available at Takeda Please pass this job notice (link below) on to anyone you think may be interested. There is an exciting industrial Postdoc position available at Takeda Pharmaceuticals in Cambridge. It’s main focus is to apply low and high field NMR spectrometry as a Process Analytical Technology (PAT). It’s also a great way to get industry experience! https://shire.wd5.myworkdayjobs.com/External/job/United-States---Binney-St-Cambridge-MA/Postdoctoral-Fellow---Analytical-Development_R0049378-2
nmrlearner
Yesterday 08:10 PM
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0 2 News from NMR blogs
Go to first new post Highly Stable Magic Angle Spinning Spherical Rotors Lacking Turbine Grooves
From The DNP-NMR Blog: Highly Stable Magic Angle Spinning Spherical Rotors Lacking Turbine Grooves Osborn Popp, Thomas M., Alexander Däpp, Chukun Gao, Pin-Hui Chen, Lauren E. Price, Nicholas H. Alaniva, and Alexander B. Barnes. “Highly Stable Magic Angle Spinning Spherical Rotors Lacking Turbine Grooves.” Preprint. Solid-state NMR/Instrumentation, April 1, 2020. https://doi.org/10.5194/mr-2020-2.
nmrlearner
Yesterday 08:10 PM
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0 4 News from NMR blogs
Go to first new post Liquid-state Overhauser DNP at High Magnetic Fields #DNPNMR
From The DNP-NMR Blog: Liquid-state Overhauser DNP at High Magnetic Fields #DNPNMR Denysenkov, Vasyl P, and Thomas F Prisner. “Liquid-State Overhauser DNP at High Magnetic Fields,” 8:14, 2019. https://doi.org/10.1002/9780470034590.emrstm1557.
nmrlearner
Yesterday 08:10 PM
by nmrlearner Go to last post
0 4 News from NMR blogs
Go to first new post [NMR] 1st Conference on Zero and Ultra Low Field (ZULF) NMR
From The DNP-NMR Blog: 1st Conference on Zero and Ultra Low Field (ZULF) NMR Dear colleagues, We are happy to announce that the registration for the 1st Conference on Zero and Ultra-Low Field (ZULF) NMR is now open. The conference will take place from 1 to 4 September 2020 via videoconferencing and there is no registration fee. All the information and the registration link are available at http://www.conference.zulf.eu/. You are encouraged to participate in the Twitter poster session. The best posters will be awarded prizes, sponsored by Wiley and ISMAR. As the field is emerging,...
nmrlearner
Yesterday 08:10 PM
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0 4 News from NMR blogs
Go to first new post Heteronuclear cross-relaxation effect modulated by the dynamics of N-functional groups in the solid state under 15N DP-MAS DNP #DNPNMR
From The DNP-NMR Blog: Heteronuclear cross-relaxation effect modulated by the dynamics of N-functional groups in the solid state under 15N DP-MAS DNP #DNPNMR Park, Heeyong, Boran Uluca-Yazgi, Saskia Heumann, Robert Schlögl, Josef Granwehr, Henrike Heise, and P. Philipp M. Schleker. “Heteronuclear Cross-Relaxation Effect Modulated by the Dynamics of N-Functional Groups in the Solid State under 15N DP-MAS DNP.” Journal of Magnetic Resonance 312 (March 2020): 106688. https://doi.org/10.1016/j.jmr.2020.106688 In a typical magic-angle spinning (MAS) dynamic nuclear polarization (DNP)...
nmrlearner
Yesterday 08:10 PM
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0 4 News from NMR blogs
Go to first new post Hyperpolarized water through dissolution dynamic nuclear polarization with UV-generated radicals #DNPNMR
From The DNP-NMR Blog: Hyperpolarized water through dissolution dynamic nuclear polarization with UV-generated radicals #DNPNMR Pinon, Arthur C., Andrea Capozzi, and Jan Henrik Ardenkjær-Larsen. “Hyperpolarized Water through Dissolution Dynamic Nuclear Polarization with UV-Generated Radicals.” Communications Chemistry 3, no. 1 (December 2020): 57. https://doi.org/10.1038/s42004-020-0301-6.
nmrlearner
Yesterday 08:10 PM
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0 2 News from NMR blogs
Go to first new post Pulsed Dynamic Nuclear Polarization #DNPNMR
From The DNP-NMR Blog: Pulsed Dynamic Nuclear Polarization #DNPNMR Tan, Kong Ooi, Sudheer Jawla, Richard J Temkin, and Robert G Griffin. “Pulsed Dynamic Nuclear Polarization,” 8:14, 2019. https://doi.org/10.1002/9780470034590.emrstm1558.
nmrlearner
Yesterday 08:10 PM
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0 3 News from NMR blogs
Go to first new post [NMR] Solid-State NMR Postdoc Position at Ames Laboratory #DNPNMR
From The DNP-NMR Blog: Solid-State NMR Postdoc Position at Ames Laboratory #DNPNMR Dear Colleagues, We are seeking a postdoctoral associate with a background in solid-state NMR spectroscopy. The postdoc will be responsible for conducting solid-state NMR investigations of heterogeneous catalysts, by conventional as well as dynamic nuclear polarization (DNP) enhanced solid-state NMR spectroscopy. A significant portion of the work will involve solid-state NMR methods development for instance through the development of novel data analysis tools, pulse sequence development, and the...
nmrlearner
Yesterday 08:10 PM
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0 4 News from NMR blogs
Go to first new post Enhanced Intersystem Crossing and Transient Electron Spin Polarization in a Photoexcited Pentacene-Trityl Radical
From The DNP-NMR Blog: Enhanced Intersystem Crossing and Transient Electron Spin Polarization in a Photoexcited Pentacene-Trityl Radical Avalos, Claudia E., Sabine Richert, Etienne Socie, Ganesan Karthikeyan, Gilles Casano, Gabriele Stevanato, Dominik J. Kubicki, et al. “Enhanced Intersystem Crossing and Transient Electron Spin Polarization in a Photoexcited Pentacene-Trityl Radical.” The Journal of Physical Chemistry A, June 25, 2020, acs.jpca.0c03498. https://doi.org/10.1021/acs.jpca.0c03498.
nmrlearner
Yesterday 08:10 PM
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0 2 News from NMR blogs
Go to first new post Study of electron spectral diffusion process under DNP conditions by ELDOR spectroscopy focusing on the 14N Solid Effect #DNPNMR
From The DNP-NMR Blog: Study of electron spectral diffusion process under DNP conditions by ELDOR spectroscopy focusing on the 14N Solid Effect #DNPNMR Ramirez Cohen, Marie, Akiva Feintuch, Daniella Goldfarb, and Shimon Vega. “Study of Electron Spectral Diffusion Process under DNP Conditions by ELDOR Spectroscopy Focusing on the 14N Solid Effect.” Magnetic Resonance Discussions, February 24, 2020, 1–26. https://doi.org/10.5194/mr-2020-3.
nmrlearner
Yesterday 08:10 PM
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0 3 News from NMR blogs
Go to first new post ERC-funded postdoctoral position in MAS-DNP of organic solids #DNPNMR
From The DNP-NMR Blog: ERC-funded postdoctoral position in MAS-DNP of organic solids #DNPNMR Hello everyone, there is a postdoc position opening at the Institut of Radical Chemistry in Marseille (France). For a complete description of the project and to apply, please follow this link to the offer on the job portal of the CNRS: https://bit.ly/3huX4Ym
nmrlearner
Yesterday 08:10 PM
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0 2 News from NMR blogs
Go to first new post Dynamic nuclear polarization enhanced neutron crystallography: Amplifying hydrogen in biological crystals #DNPNMR
From The DNP-NMR Blog: Dynamic nuclear polarization enhanced neutron crystallography: Amplifying hydrogen in biological crystals #DNPNMR Pierce, Joshua, Matthew J. Cuneo, Anna Jennings, Le Li, Flora Meilleur, Jinkui Zhao, and Dean A. A. Myles. “Chapter Eight - Dynamic Nuclear Polarization Enhanced Neutron Crystallography: Amplifying Hydrogen in Biological Crystals.” In Methods in Enzymology, edited by Peter C. E. Moody, 634:153–75. Neutron Crystallography in Structural Biology. Academic Press, 2020. https://doi.org/10.1016/bs.mie.2019.11.018.
nmrlearner
Yesterday 08:10 PM
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0 2 News from NMR blogs
Go to first new post Aqueous aging of a silica coated TiO2UV filter used in sunscreens: investigations at the molecular scale with dynamic nuclear polarization NMR #DNPNMR
From The DNP-NMR Blog: Aqueous aging of a silica coated TiO2UV filter used in sunscreens: investigations at the molecular scale with dynamic nuclear polarization NMR #DNPNMR Slomberg, Danielle L., Riccardo Catalano, Fabio Ziarelli, Stéphane Viel, Vincent Bartolomei, Jérôme Labille, and Armand Masion. “Aqueous Aging of a Silica Coated TiO 2 UV Filter Used in Sunscreens: Investigations at the Molecular Scale with Dynamic Nuclear Polarization NMR.” RSC Advances 10, no. 14 (2020): 8266–74 https://doi.org/10.1039/D0RA00595A. ,
nmrlearner
Yesterday 08:10 PM
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0 2 News from NMR blogs
Go to first new post Spatially resolved NMR spectroscopy of heterogeneous gas phase hydrogenation of 1,3-butadiene with para-hydrogen
From The DNP-NMR Blog: Spatially resolved NMR spectroscopy of heterogeneous gas phase hydrogenation of 1,3-butadiene with para-hydrogen Svyatova, Alexandra, Elizaveta S. Kononenko, Kirill V. Kovtunov, Dmitry Lebedev, Evgeniy Yu. Gerasimov, Andrey V. Bukhtiyarov, Igor P. Prosvirin, et al. “Spatially Resolved NMR Spectroscopy of Heterogeneous Gas Phase Hydrogenation of 1,3-Butadiene with Para Hydrogen.” Catalysis Science & Technology 10, no. 1 (2020): 99–104 https://doi.org/10.1039/C9CY02100K.
nmrlearner
Yesterday 08:10 PM
by nmrlearner Go to last post
0 4 News from NMR blogs
Go to first new post Gadolinium Effect at High-Magnetic-Field DNP: 70% 13C Polarization of [U-13C] Glucose Using Trityl #DNPNMR
From The DNP-NMR Blog: Gadolinium Effect at High-Magnetic-Field DNP: 70% 13C Polarization of Glucose Using Trityl #DNPNMR Capozzi, Andrea, Saket Patel, W. Thomas Wenckebach, Magnus Karlsson, Mathilde H. Lerche, and Jan Henrik Ardenkjær-Larsen. “Gadolinium Effect at High-Magnetic-Field DNP: 70% 13C Polarization of Glucose Using Trityl.” The Journal of Physical Chemistry Letters 10, no. 12 (June 20, 2019): 3420–25. https://doi.org/10.1021/acs.jpclett.9b01306. We show that the trityl electron spin resonance (ESR) features, crucial for an efficient dynamic nuclear polarization...
nmrlearner
Yesterday 08:10 PM
by nmrlearner Go to last post
0 2 News from NMR blogs
Go to first new post Heteronuclear DNP of 1H and 19F nuclei using BDPA as a polarizing agent #DNPNMR
From The DNP-NMR Blog: Heteronuclear DNP of 1H and 19F nuclei using BDPA as a polarizing agent #DNPNMR Gennaro, Antonio, Alexander Karabanov, Alexey Potapov, and Walter Köckenberger. “Heteronuclear DNP of 1H and 19F Nuclei Using BDPA as a Polarizing Agent.” Physical Chemistry Chemical Physics 22, no. 15 (2020): 7803–16. https://doi.org/10.1039/D0CP00892C. This work explores the dynamic nuclear polarization (DNP) of 1H and 19F nuclei in a sample of 25/75 (% v/v) fluorobenzene/toluene containing the radical 1,3-bisphenylene-2-phenylallyl radical (BDPA) as a polarizing agent....
nmrlearner
Yesterday 08:10 PM
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0 2 News from NMR blogs
Go to first new post [NMR] NMR facility position available
From The DNP-NMR Blog: NMR facility position available Dear colleagues: UC Irvine is looking for a Biomolecular NMR Spectroscopy Manager to oversee the BioMolecular Spectroscopy Facility in the Department of Chemistry. The position is responsible for the technical and administrative needs of the facility. The manager solves structures using NMR analysis, maintains equipment, facilitates billing, collaborates with faculty on applications of NMR in their research, and contributes to faculty research initiatives. Interested parties should apply at:...
nmrlearner
Yesterday 08:10 PM
by nmrlearner Go to last post
0 2 News from NMR blogs
Go to first new post Dynamic Nuclear Polarization Enhanced Neutron Crystallography: Amplifying Hydrogen in Biological Crystals #DNPNMR
From The DNP-NMR Blog: Dynamic Nuclear Polarization Enhanced Neutron Crystallography: Amplifying Hydrogen in Biological Crystals #DNPNMR Pierce, Joshua, Matthew J. Cuneo, Anna Jennings, Le Li, Flora Meilleur, Jinkui Zhao, and Dean A.A. Myles. “Dynamic Nuclear Polarization Enhanced Neutron Crystallography: Amplifying Hydrogen in Biological Crystals.” In Methods in Enzymology, 634:153–75. Elsevier, 2020. https://doi.org/10.1016/bs.mie.2019.11.018.
nmrlearner
Yesterday 08:10 PM
by nmrlearner Go to last post
0 2 News from NMR blogs
Showing results 1 to 25 of 25

 
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