• novel
  • Thus the foundations are set for a novel encoding based on L-systems for evolutionary approaches to both the Protein Structure Prediction and Inverse Folding Problems. (springer.com)
  • New partner proteins containing novel internal recognition motif for human glutaminase interacting protein (hGIP) , BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 432: (1) pp. 10-15. (doktori.hu)
  • He was a NIH Director's Pioneer Award finalist in 2006 (25/465 applicants were selected as finalists) for a novel idea to determine the structures of all proteins in a solution that he then presented at the seventh community wide assessment of protein structure prediction methods (CASP7). (wikipedia.org)
  • In 2010, he again became a finalist and went on to receive the Pioneer Award for his Computational Analysis of Novel Drug Opportunities (CANDO) drug discovery platform to screen every known drug against every known target structure in a shotgun manner to discover new repurposeable therapeutics, particularly for underserved diseases. (wikipedia.org)
  • Codon-tRNA combinations not found in nature can also be used to "expand" the genetic code and form novel proteins known as alloproteins incorporating non-proteinogenic amino acids. (wikipedia.org)
  • He discovered novel blood group and tumor antigen specific lectins and made original contribution towards elucidation of the energetics and mechanism of protein-sugar recognition. (wikipedia.org)
  • He discovered the unusual quaternary structure of peanut agglutinin and a novel lectin fold in Jacalin as well as the structural basis of inactivation of ribosomes by gelonin. (wikipedia.org)
  • Biochemistry
  • Click here to see the interview by SelectScience with Dr Christian Bleiholder , Assistant Professor of Chemistry and Biochemistry, Florida State University, discussing how Bruker's timsTOF™ system enables him to resolve different conformations of transport proteins to elucidate the role of chemokines in cells trafficking within the immune System. (bruker.com)
  • In 1990 she was appointed Professor and Director of the Biomolecular Structure and Modeling Unit in the Department of Biochemistry and Molecular Biology at University College London and later also was appointed to the Bernal Chair in the Crystallography Department at Birkbeck College. (wikipedia.org)
  • motif
  • The beta hairpin (sometimes also called beta-ribbon or beta-beta unit) is a simple protein structural motif involving two beta strands that look like a hairpin. (wikipedia.org)
  • The motif consists of two strands that are adjacent in primary structure, oriented in an antiparallel direction (the N-terminus of one sheet is adjacent to the C-terminus of the next), and linked by a short loop of two to five amino acids. (wikipedia.org)
  • The β-hairpin loop motif can be found in many macromolecular proteins. (wikipedia.org)
  • computational
  • She is one of the world's leading researchers in structural bioinformatics, using computational methods to understand protein structure and function. (wikipedia.org)
  • De novo methods tend to require vast computational resources, and have thus only been carried out for relatively small proteins. (wikipedia.org)
  • Prediction of protein structure de novo for larger proteins will require better algorithms and larger computational resources such as those afforded by either powerful supercomputers (such as Blue Gene or MDGRAPE-3) or distributed computing projects (such as Folding@home, Rosetta@home, the Human Proteome Folding Project, or Nutritious Rice for the World). (wikipedia.org)
  • Although computational barriers are vast, the potential benefits of structural genomics (by predicted or experimental methods) to fields such as medicine and drug design make de novo structure prediction an active research field. (wikipedia.org)
  • Macromolecular docking is the computational modelling of the quaternary structure of complexes formed by two or more interacting biological macromolecules. (wikipedia.org)
  • In the early 1990s, more structures of complexes were determined, and available computational power had increased substantially. (wikipedia.org)
  • molecular
  • Molecular dynamics simulations and the generation of ad hoc chemical libraries are playing an increasingly important and recognized role in structure-based virtual screening. (springer.com)
  • Functional significance of the lipid-protein interface in photosynthetic membranes , CELLULAR AND MOLECULAR LIFE SCIENCES 60: pp. 1591-1606. (doktori.hu)
  • Despite the lack of crystal structures for CB1, protein-based homology modeling approaches and molecular docking methods can be used in the design and discovery of cannabinoid analogues. (springer.com)
  • His studies have provided insights into the relationship among hydration, molecular mobility and protein action. (wikipedia.org)
  • To understand the functions of proteins at a molecular level, it is often necessary to determine their three-dimensional structure. (wikipedia.org)
  • The only prerequisite is that their molecular structure has been either determined experimentally, or can be estimated by a protein structure prediction technique. (wikipedia.org)
  • principles
  • Furthermore, since docking methods can be based on purely physical principles, even proteins of unknown function (or which have been studied relatively little) may be docked. (wikipedia.org)
  • Atoms
  • Since the vision is of a large collection of atoms with subgroupings of atoms that work together in a complex dynamic manner, a protein would be a collection of atoms, many of which are covalently bonded, that interact together to perform a specific biological function. (wikipedia.org)
  • reversible
  • ii) PfRds cold-denaturation behavior during cooling after thermo-chemical perturbation is incompletely reversible, unlike PfuTIMs, which was clearly reversible (from each different conformation generated). (duhnnae.com)
  • nanoparticles
  • In our first generation biosensor a ruthenium complex (top left) was attached to maltose binding protein, which when attached to ZnS coated CdSe nanoparticles (botom left) provided maltose-dependent changes in emission intensity. (calvin.edu)
  • By physical size, proteins are classified as nanoparticles, between 1-100 nm. (wikipedia.org)
  • residue
  • The computer used a simplified representation of the interacting proteins, with one interaction centre for each residue. (wikipedia.org)
  • roles
  • We focus on elucidating the roles and interrelation of non pathogenic prion-family proteins that is necessary for a successful development of a cure to transmissible spongiform enchephalopaties. (doktori.hu)
  • The biological roles of most proteins, as characterized by which other macromolecules they interact with, are known at best incompletely. (wikipedia.org)
  • known
  • This suggests that native structures may be captured by the formalism known as Lindenmayer systems (L-systems). (springer.com)
  • Background: The total number of known three-dimensional protein structures is rapidly increasing. (ebscohost.com)
  • Cofactors generated through posttranslational redox reactions are best known from green fluorescent protein. (calvin.edu)
  • The original Chou-Fasman parameters were derived from a very small and non-representative sample of protein structures due to the small number of such structures that were known at the time of their original work. (wikipedia.org)
  • In light of experimental limitations, devising efficient computer programs to close the gap between known sequence and structure is believed to be the only feasible option. (wikipedia.org)
  • form
  • N-formylmethionine (which is often the initial amino acid of proteins in bacteria, mitochondria, and chloroplasts) is generally considered as a form of methionine rather than as a separate proteinogenic amino acid. (wikipedia.org)
  • Some parts of the protein are ordered but do not form any regular structures. (wikipedia.org)