modelling package quanta (Molecular Simulations Inc)
90
Structured Review
Molecular Simulations Inc
modelling package quanta
Modelling Package Quanta, supplied by Molecular Simulations Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/program+quanta/modeling+program+quanta/us07125689-154-21-22
Average 90 stars, based on 1 article reviews
Modelling Package Quanta, supplied by Molecular Simulations Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/program+quanta/modeling+program+quanta/us07125689-154-21-22
Average 90 stars, based on 1 article reviews
modelling package quanta - by Bioz Stars,
2026-10
90/100 stars
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other:Article Title: Structural and theoretical studies suggest domain movement produces an active conformation of thymidine phosphorylase. Article Snippet: Departments of Pathology Microbiology and Center for Macromolecular Crystallography, University of Alabama at Birmingham University Station Birmingham, AL 35294, USA Two new crystal forms of Escherichia coli thymidine phosphorylase (EC 2.4.2.4) have been found; a monoclinic form (space group P21) and an orthorhombic form (space group I222).. These structures have been solved and compared to the previously determined tetragonal form (space group P43212).. This comparison provides evidence of domain movement of the a (residues 1 to 65, 163 to 193) and a/b (residues 80 to 154, 197 to 440) domains, which is thought to be critical for enzymatic activity by closing the active site cleft. Article Title: Coagulation factor X-binding protein from Deinagkistrodon acutus venom is a Gla domain-binding protein. Article Snippet: Factor IX/factor X-binding protein (IX/X-bp) is an anticoagulant isolated from the venom of Trimeresurus flaVoViridis (habu snake) and binds predominantly to factor IX.. In this study, we isolated IX/X-bp-like proteins from the venom of Deinagkistrodon acutus (hundred pace snake) with binding characteristics different from those of IX/X-bp.. The complete amino acid sequence and binding characteristics of the main anticoagulant protein, named X-bp, were investigated. Article Title: Method for rendering streptokinase less immunogenic to a human Article Snippet: Article Title: Effect of cross-linker length on the stability of hemoglobin. Article Snippet: A series of cross-linking reagents with 4 to 7 carbons have been synthesized and used to modify human hemoglobin.. The product yields and biochemical properties of these cross-linked hemoglobins are compared to those made with both longer and shorter cross-linkers.. Several trends become apparent. Software:Article Title: A novel approach for the development of selective Cdk4 inhibitors: library design based on locations of Cdk4 specific amino acid residues. Article Snippet: Identification of a selective inhibitor for a particular protein kinase without inhibition of other kinases is critical for use as a biological tool or drug.. However, this is very difficult because there are hundreds of homologous kinases and their kinase domains including the ATP binding pocket have a common folding pattern.. To address this issue, we applied the following structurebased approach for designing selective Cdk4 inhibitors: (1) identification of specifically altered amino acid residues around the ATP binding pocket in Cdk4 by comparison of 390 representative kinases, (2) prediction of appropriate positions to introduce substituents in lead compounds based on the locations of the altered amino acid residues and the binding modes of lead compounds, and (3) library design to interact with the altered amino acid residues supported by de novo design programs. Article Title: Dopamine D4/D2 receptor selectivity is determined by A divergent aromatic microdomain contained within the second, third, and seventh membrane-spanning segments. Article Snippet: Conserved features of the sequences of dopamine receptors and of homologous G-protein-coupled receptors point to regions, and amino acid residues within these regions, that contribute to their ligand binding sites.. Differences in binding specificities among the catecholamine receptors, however, must stem from their nonconserved residues.. Using the substitutedcysteine accessibility method, we have identified the residues that form the surface of the water-accessible binding-site crevice in the dopamine D2 receptor. Solvent:Article Title: Solvent Effects on Fluorine Shielding in Fluorobenzene Article Snippet: Computer simulations of fluorobenzene dissolved in ten organic liquids and water have been used to explore the origins of solvent-induced changes in the fluorine chemical shielding parameter when this molecule is transferred from the gas phase to a solvent.. Relying on recent theoretical calculations, it is demonstrated that shortrange (van der Waals) interactions between the fluorine nucleus and solvent molecules are the predominant source of shielding parameter changes.. Electric fields created by the solvent also have a detectable effect on shielding. Construct:Article Title: Solvent Effects on Fluorine Shielding in Fluorobenzene Article Snippet: Computer simulations of fluorobenzene dissolved in ten organic liquids and water have been used to explore the origins of solvent-induced changes in the fluorine chemical shielding parameter when this molecule is transferred from the gas phase to a solvent.. Relying on recent theoretical calculations, it is demonstrated that shortrange (van der Waals) interactions between the fluorine nucleus and solvent molecules are the predominant source of shielding parameter changes.. Electric fields created by the solvent also have a detectable effect on shielding. |