BioNMR - Search Results

Showing results 1 to 6 of 6 Search took 0.00 seconds. Search: Threads Started By: daniel
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	HIFI-C: a robust and fast method for determining NMR couplings from adaptive 3D to 2D projections HIFI-C: a robust and fast method for determining NMR couplings from adaptive 3D to 2D projections Gabriel Cornilescu, Arash Bahrami, Marco Tonelli, John L. Markley and Hamid R. Eghbalnia Journal of Biomolecular NMR; 2007; 38(4); pp 341-351 Abstract: We describe a novel method for the robust, rapid, and reliable determination of J couplings in multi-dimensional NMR coupling data, including small couplings from larger proteins. The method, “High-resolution Iterative Frequency Identification of Couplings” (HIFI-C) is an extension of the adaptive and intelligent data collection approach... daniel	08-14-2008 10:15 PM by daniel	0	3,037	Journal club
	De novo determination of internuclear vector orientations from residual dipolar couplings measured in three independent alignment media De novo determination of internuclear vector orientations from residual dipolar couplings measured in three independent alignment media Ke Ruan, Kathryn B. Briggman and Joel R. Tolman Journal of Biomolecular NMR; 2008; 41(2) pp 61 - 76 Abstract: The straightforward interpretation of solution state residual dipolar couplings (RDCs) in terms of internuclear vector orientations generally requires prior knowledge of the alignment tensor, which in turn is normally estimated using a structural model. We have developed a protocol which allows the requirement for prior structural knowledge to... daniel	08-03-2008 03:54 AM by daniel	0	4,069	Journal club
	Density functional calculations of 15N chemical shifts in solvated dipeptides Density functional calculations of 15N chemical shifts in solvated dipeptides Ling Cai, David Fushman and Daniel S. Kosov Journal of Biomolecular NMR; 2008; 41(2) pp 77 - 88 Abstract: We performed density functional calculations to examine the effects of solvation, hydrogen bonding, backbone conformation, and the side chain on 15N chemical shielding in proteins. We used N-methylacetamide (NMA) and N-formyl-alanyl-X (with X being one of the 19 naturally occurring amino acids excluding proline) as model systems. In addition, calculations were performed for selected fragments from... daniel	08-03-2008 03:46 AM by daniel	0	3,586	Journal club
	Numbat: an interactive software tool for fitting Δχ-tensors to molecular coordinates using pseudocontact shifts Numbat: an interactive software tool for fitting Δχ-tensors to molecular coordinates using pseudocontact shifts Christophe Schmitz, Mitchell J. Stanton-Cook, Xun-Cheng Su, Gottfried Otting and Thomas Huber Journal of Biomolecular NMR; 2008; 41(3) pp 179 - 189 Abstract: Pseudocontact shift (PCS) effects induced by a paramagnetic lanthanide bound to a protein have become increasingly popular in NMR spectroscopy as they yield a complementary set of orientational and long-range structural restraints. PCS are a manifestation of the χ-tensor anisotropy, the Δχ-tensor, which in turn can be... daniel	08-03-2008 03:38 AM by daniel	0	3,751	Journal club
	Automated sequence-specific protein NMR assignment using the memetic algorithm MATCH Automated sequence-specific protein NMR assignment using the memetic algorithm MATCH Jochen Volk, Torsten Herrmann and Kurt Wüthrich Journal of Biomolecular NMR; 2008; 41(3); pp 127 - 138 Abstract: MATCH (Memetic Algorithm and Combinatorial Optimization Heuristics) is a new memetic algorithm for automated sequence-specific polypeptide backbone NMR assignment of proteins. MATCH employs local optimization for tracing partial sequence-specific assignments within a global, population-based search environment, where the simultaneous application of local and global optimization heuristics... daniel	08-03-2008 03:24 AM by daniel	0	3,535	Journal club
	Using relaxation dispersion NMR spectroscopy to determine structures of excited, invisible protein states Using relaxation dispersion NMR spectroscopy to determine structures of excited, invisible protein states D. Flemming Hansen, Pramodh Vallurupalli and Lewis E. Kay Journal of Biomolecular NMR; 2008; 41(3); pp 113 - 120 Abstract: Currently the main focus of structural biology is the determination of static three-dimensional representations of biomolecules that for the most part correspond to low energy (ground state) conformations. However, it is becoming increasingly well recognized that higher energy structures often play important roles in function as well. Because these conformers... daniel	08-03-2008 03:16 AM by daniel	0	3,522	Journal club
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