Ask NMR questions! Earn NMR points Redeem NMR points Vote for NMR papers Twitter Ask to aggregate a site  Our Linkedin group BioNMR User Name Remember Me? Password Home Forums Wiki NMR feeds Downloads Register Today's Posts Search Jobs Groups Conferences Literature Pulse sequences Software forums Programs Sample preps Web resources BioNMR issues NMR books: NMR books NMR theses: NMR theses All papers: All papers By topic: Protein-ligand interactions Solid-state high-resolution NMR NMR online resources: Educational web pages NMR presentations Educational web pages Educational videos News from other NMR forums NMR news NMR tweets NMR bookmarks NMR pictures NMR links BioNMR stuff: Feedback, suggestions, requests Announcements Test forum Sample preparation: Proteins General: General Software feature requests NMR software Spectrum analysis Molecular Modeling: NMR structure calculation Dynamics by NMR Structure analysis Molecular Dynamics Downloads: BioNMR downloads NMR processing: NMRPipe 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 Dynamo Cyana XPLOR-NIH ASDP UNIO ATNOS-Candid UNIO Candid Amber 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: TALOS Preditor Promega- Proline Secondary structure from chemical shifts: TALOS MICS caps, β-turns d2D PECAN CSI (via RCI server) Flexibility from chemical shifts: RCI Interactions from chemical shifts: HADDOCK Chemical shifts re-referencing: Shiftcor UNIO Shiftinspector LACS CheckShift RefDB NMR model quality: Agreement with distance restraints: PROSESS PSVS RPF scores iCing Agreement with chemical shifts: PROSESS CheShift2 Vasco iCing Agreement with RDCs: DC Anisofit Agreement with pseudocontact shifts: Anisofit Agreement with typical 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

» NMR Jobs Professor or Associate Professor in Biological NMR Spetroscopy at Aarhus University (874792) |... by nmrlearner Principal Analytical Chemist | Calhoun Vision, Inc. by nmrlearner Assistant, Associate or Full Professor of Pharmacognosy | The University of Mississippi, School of... by nmrlearner » Cool papers Including the Ensemble of Unstructured Conformations in the Analysis of Protein's Native State by... by nmrlearner NMR metabolomic modeling of age and lifespan: A multicohort analysis by nmrlearner Solution NMR chemical shift assignment of apo and molybdate-bound ModA at two pHs by nmrlearner » NMR books Solid State Properties of Pharmaceutical Materials by nmrlearner NMR Data Interpretation Explained: Understanding 1D and 2D NMR Spectra of Organic Compounds and... by nmrlearner Guide to Fluorine NMR for Organic Chemists, 2nd Edition by nmrlearner » NMR theses A Pulse NMR Trilogy: Anomalies, Anisotropies, and Adsorption by nmrlearner NMR imaging of solids with multiple-pulse line narrowing and radiofrequency gradients by nmrlearner Metabolic engineering applications of in vivo [superscript 31]P and [superscript 13]C NMR studies... by nmrlearner » NMR blogs New blog site by nmrlearner EasySpin Academy (online), Oct 13-15, 2020 by nmrlearner A compact X-Band ODNP spectrometer towards hyperpolarized 1H spectroscopy #DNPNMR #ODNP by nmrlearner » NMR news Optimal isotope labelling for NMR protein structure determinations - Nature.com by nmrlearner Bruker Introduces Novel NMR Scientific Capabilities for Structural Biology Discoveries in Membrane... by nmrlearner Bruker Introduces Novel NMR Scientific Capabilities for Structural Biology Discoveries in Membrane... by nmrlearner » NMR tweets NMR tweet Hyperpolarized diamond nuclei increase NMR/MRI sensitivity: Today?s nuclear magnetic... by nmrlearner Hyperpolarized diamond nuclei increase NMR/MRI sensitivity: Today?s nuclear magnetic resonance... by nmrlearner iNMR enables you to process and visualize Nuclear Magnetic Resonance spectra. Have you been longing... by nmrlearner » NMR videos Jack Vale Interview | NMR Feature by nmrlearner NMR Made Easy! Part 6A - NMR to Molecule Structure - Organic Chemistry by nmrlearner Another introduction to proton NMR (9) by nmrlearner » NMR pictures butanone by nmrlearner ... temporal lobe epilepsy: a 1 H magnetic resonance spectroscopy study by nmrlearner Figure 12. Closed field magnetic resonance imaging machine [16]. by nmrlearner » Online Users: 327 0 members and 327 guests No Members online Most users ever online was 1,278, 01-09-2024 at 07:38 AM.

» Welcome! Welcome, NMR world! Our visitors map. » Log in User Name Remember Me? Not a member yet? Register Now! Password Diamond Rotors Could Put a New Spin on Protein Studies - IEEE Spectrum Jun 08, 2023 - 9:28 PM - by nmrlearner Diamond Rotors Could Put a New Spin on Protein Studies - IEEE Spectrum Diamond Rotors Could Put a New Spin on Protein Studies IEEE Spectrum Read here 0 Replies | 180 Views G-quadruplexes rescuing protein folding - pnas.org Jun 08, 2023 - 9:28 PM - by nmrlearner G-quadruplexes rescuing protein folding - pnas.org G-quadruplexes rescuing protein folding pnas.org Read here 0 Replies | 153 Views A method for parallel microscale protein labeling and precise control ... - Nature.com Jun 08, 2023 - 9:28 PM - by nmrlearner A method for parallel microscale protein labeling and precise control ... - Nature.com A method for parallel microscale protein labeling and precise control ... Nature.com Read here 0 Replies | 141 Views [ASAP] Solution Structure Ensembles of the Open and Closed Forms of the ~130 kDa Enzyme I via AlphaFold Modeling, Coarse Grained Simulations, and NMR Jun 07, 2023 - 11:06 AM - by nmrlearner [ASAP] Solution Structure Ensembles of the Open and Closed Forms of the ~130 kDa Enzyme I via AlphaFold Modeling, Coarse Grained Simulations, and NMR Sergey L. Sedinkin, Daniel Burns, Divyanshu Shukla, Davit A. Potoyan, and Vincenzo Venditti Journal of the American Chemical Society DOI: 10.1021/jacs.3c03425 Source: Journal of the American Chemical Society 0 Replies | 216 Views [NMR paper] Solution Structure Ensembles of the Open and Closed Forms of the ~130 kDa Enzyme I via AlphaFold Modeling, Coarse Grained Simulations, and NMR Jun 06, 2023 - 9:06 PM - by nmrlearner Solution Structure Ensembles of the Open and Closed Forms of the ~130 kDa Enzyme I via AlphaFold Modeling, Coarse Grained Simulations, and NMR Large-scale interdomain rearrangements are essential to protein function, governing the activity of large enzymes and molecular machineries. Yet, obtaining an atomic-resolution understanding of how the relative domain positioning is affected by external stimuli is a hard task in modern structural biology. Here, we show that combining structural modeling by AlphaFold2 with coarse-grained molecular dynamics simulations and NMR residual dipolar coupling data is sufficient to characterize the... More... 0 Replies | 118 Views [NMR paper] Adenosine A2A Receptor (A2AAR) Ligand Screening Using the 19F-NMR Probe FPPA Jun 06, 2023 - 9:06 PM - by nmrlearner Adenosine A2A Receptor (A2AAR) Ligand Screening Using the 19F-NMR Probe FPPA The binding affinity of G protein-coupled receptor (GPCR) ligands is customarily measured by radio-ligand competition experiments. As an alternative approach, ^(19)F nuclear magnetic resonance spectroscopy (^(19)F-NMR) is used for the screening of small-molecule lead compounds in drug discovery; the two methods are complementary in that the measurements are performed with widely different experimental conditions. Here, we used the structure of the A(2A) adenosine receptor (A(2A)AR) complex with... More... 0 Replies | 106 Views [NMR paper] Combining Solid-State NMR with Structural and Biophysical Techniques to Design Challenging Protein-Drug Conjugates Jun 06, 2023 - 9:06 PM - by nmrlearner Combining Solid-State NMR with Structural and Biophysical Techniques to Design Challenging Protein-Drug Conjugates Several protein-drug conjugates are currently being used in cancer therapy. These conjugates rely on cytotoxic organic compounds that are covalently attached to the carrier proteins or that interact with them via non-covalent interactions. Human transthyretin (TTR), a physiological protein, has already been identified as a possible carrier protein for the delivery of cytotoxic drugs. Here we show the structure-guided development of a new stable cytotoxic molecule based on a known strong binder... More... 0 Replies | 107 Views [NMR paper] Fitting Force Field Parameters to NMR Relaxation Data Jun 06, 2023 - 9:06 PM - by nmrlearner Fitting Force Field Parameters to NMR Relaxation Data We present an approach to optimize force field parameters using time-dependent data from NMR relaxation experiments. To do so, we scan parameters in the dihedral angle potential energy terms describing the rotation of the methyl groups in proteins and compare NMR relaxation rates calculated from molecular dynamics simulations with the modified force fields to deuterium relaxation measurements of T4 lysozyme. We find that a small modification of C^(?) methyl groups improves the agreement with... More... 0 Replies | 126 Views Page 80 of 100 « First < 30 70 78 79 80 81 82 90 > Last »

» Search Forums » Advanced Search » BioNMR wiki NMR job online resources by nmrlearner List of Linux distributions that offer easy PyMol installation via a package manager by markber Compiling and installing MolMol under Linux from Louic S. Vermeer blog by markber » NMR discussion Journal Highlight: 3D printed NMR spectra: From 1D and 2D acquisition to 3D visualization by nmrlearner Golden probe: Opening the cluster by nmrlearner Journal Highlight: Explosive emulsion characterisation using nuclear magnetic resonance by nmrlearner » NMR conferences PANIC 2018 - Practical Applications of NMR in Industry Conference by nmrlearner Practical Applications of NMR in Industry Conference (PANIC) by nmrlearner PANIC 2016 - Practical Applications of NMR in Industry Conference by nmrlearner » NMR software A source of RPMs for several NMR-related programs by nmrlearner New File Added: GARANT by Chris. Bart. Basics of Mathematica to Understand POMA by nmrlearner » Pulse sequences Pulse programs by sivanmr Bruker GFT-NMR pulse programs from Dr. Gao website by nmrlearner BMRB library of Bruker pulse sequences by nmrlearner » NMR community NMR Group of Gary Shaw at the University of Western Ontario by mrevingt "Eureka moments" push U of A researcher to top publishing spot - The Gateway Online by nmrlearner Prof. Konstantin Pervushin's NMR group by markber » NMR presentations Humans, aliens, and eHarmony or why there is no such thing as a free lunch in protein structure... by markber » NMR web resources NMR and MRI related tools and short programs by nmrlearner Advanced NMR Spectroscopy by nmrlearner Understanding NMR Spectroscopy - The Solutions and Figures by nmrlearner » NMR feature requests Are you interested in further development of PPT-DB: the protein property prediction and testing... by markber » NMR bookmarks Aldrich library of NMR spectra by nmrlearner NMR spectra of polymers and polymer additives by nmrlearner nmr basics by nmrlearner » Stats Members: 3,202 Threads: 25,741 Posts: 26,127 Top Poster: nmrlearner (23,185) Welcome to our newest member, bpadmanabhan