About: Computation of molecular volume

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article by Michael L. Connolly published March 1985 in Journal of the American Chemical Society

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в березні 1985 (uk) im März 1985 veröffentlichter wissenschaftlicher Artikel (de) article by Michael L. Connolly published March 1985 in Journal of the American Chemical Society (en)
publication date	wds:Q56474094-80C00030-8818-4261-A6C2-751A93EF7CC8
publication date	1985-03-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q56474094-2D9063CD-861A-4C7B-A2F7-4B1C9D931926
language of work or name	English
author name string	wds:Q56474094-155A05D9-CA5D-4442-AA60-9C5C46AE90C0
author name string	Michael L. Connolly
rdfs:label	Computation of molecular volume (en) Computation of molecular volume (nl)
skos:prefLabel	Computation of molecular volume (en) Computation of molecular volume (nl)
name	Computation of molecular volume (en) Computation of molecular volume (nl)
title	wds:Q56474094-6A182879-9BFB-4950-9295-CC2F9822C7CB
title	Computation of molecular volume (en)
page(s)	wds:Q56474094-5934E594-0C40-44CA-91D8-CC67754CB9EA
page(s)	1118-1124
instance of	wds:Q56474094-80347981-48FE-48C7-9601-944633A0491B
instance of	scholarly article
main subject	wds:Q56474094-5BAA4EAA-6AD2-4307-B78C-2E4B5FA38AE6
main subject	molecular volume
published in	wds:Q56474094-078D2C05-E1E6-4A53-B245-A20A71FCBCA9
published in	Journal of the American Chemical Society
issue	wds:Q56474094-C63A8106-2592-4D65-AEF9-87E21B611AA9
volume	wds:Q56474094-4C81994F-05A6-48DE-B7D6-5BE96C425861
issue	5
volume	107
DOI	wds:Q56474094-FDC8A443-AE3F-4114-9BAD-C8AC714993D4
DOI	http://dx.doi.org/10.1021/JA00291A006
DOI	10.1021/JA00291A006
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q56474094
is cites work of	Computation and mutagenesis suggest a right-handed structure for the synaptobrevin transmembrane dimer Modeling, mutagenesis, and structural studies on the fully conserved phosphate-binding loop (loop 8) of triosephosphate isomerase: toward a new substrate specificity Triose-phosphate isomerase (TIM) of the psychrophilic bacterium Vibrio marinus. Kinetic and structural properties Crystal structure of the RAG1 dimerization domain reveals multiple zinc-binding motifs including a novel zinc binuclear cluster Geometric measures of large biomolecules: surface, volume, and pockets An analytical method for computing atomic contact areas in biomolecules. Thermal expansion of hen egg-white lysozyme. Comparison of the 1.9 A resolution structures of the tetragonal form of the enzyme at 100 K and 298 K Fifty years of solvent denaturation. Solvent reaction field potential inside an uncharged globular protein: a bridge between implicit and explicit solvent models? SERF: a program for accessible surface area calculations Contribution of solvent water to the solution X-ray scattering profile of proteins Three new crystal structures of point mutation variants of monoTIM: conformational flexibility of loop-1, loop-4 and loop-8 Combustion-generated nanoparticles produced in a benzene flame: a multiscale approach. Protein dynamics and conformational transitions in allosteric proteins Biomolecular electrostatics and solvation: a computational perspective Effects of sugars on the thermal stability of a protein. Computational methods for biomolecular electrostatics The weighted-volume derivative of a space-filling diagram Crystal structure of a colicin N fragment suggests a model for toxicity Tanford-Kirkwood electrostatics for protein modeling. Comparative investigations of biopolymer hydration by physicochemical and modeling techniques. Application of neural networks in structure-activity relationships. Derivatives of molecular surface area and volume: simple and exact analytical formulas The Jigsaw Puzzle Model: Search for Conformational Specificity in Protein Interiors A rapid method for the computation, comparison and display of molecular volumes. A functional zeolite analogue assembled from metalloporphyrins Toward prediction of functional protein pockets using blind docking and pocket search algorithms Structural characteristics of yeast F1-ATPase before and after 16-degree rotation of the γ subunit: theoretical analysis focused on the water-entropy effect. Ionizable side chains at catalytic active sites of enzymes Chemically feasible hypothetical crystalline networks A proposal for the revision of molecular boundary typology Theoretical study for volume changes associated with the helix-coil transition of peptides ProteinVolume: calculating molecular van der Waals and void volumes in proteins. Water polygons in high-resolution protein crystal structures Electrostatic activation of Escherichia coli methionine repressor Modelling of the 3-D structure of IFN-alpha-k and characterization of its surface molecular properties Measuring hydration changes of proteins in solution: applications of osmotic stress and structure-based calculations Physical origin of hydrophobicity studied in terms of cold denaturation of proteins: comparison between water and simple fluids. Protein hydration and unfolding--insights from experimental partial specific volumes and unfolded protein models. BetaCavityWeb: a webserver for molecular voids and channels Combining frozen-density embedding with the conductor-like screening model using Lagrangian techniques for response properties. Molecular mechanics and molecular shape. III. Surface area and cross-sectional areas of organic molecules. Global Performance and Trend of QSAR/QSPR Research: A Bibliometric Analysis. Essential roles of protein-solvent many-body correlation in solvent-entropy effect on protein folding and denaturation: comparison between hard-sphere solvent and water. Physical origins of the high structural stability of CLN025 with only ten residues. Thermodynamics of apoplastocyanin folding: comparison between experimental and theoretical results. Molecular mechanism of pressure denaturation of proteins. Computational studies on the enantioselectivity of α-chymotrypsin towards β-carbomethoxy-γ-lactams Molecular dynamics studies of the structure and properties of polymer nano-particles Computer simulation of nylon-6/organoclay nanocomposites: prediction of the binding energy A novel approach to thermophysical properties prediction for chloro-fluoro-hydrocarbons Acute toxicity and quantitative structure-activity relationships of alpha-branched phenylsulfonyl acetates to Daphnia magna. Molecular dynamics calculation of molecular volumes and volumes of activation Molecular dynamics simulation of diffusion of hydrogen and its isotopic molecule in polystyrene Establishing Consistent van der Waals Volumes of Polyatomic Ions from Crystal Structures Characterizing cavities in model inclusion molecules: a comparative study. Shape-based similarity searching in chemical databases A theoretical analysis on characteristics of protein structures induced by cold denaturation. Pressure effects on structures formed by entropically driven self-assembly: illustration for denaturation of proteins. Description of hydration free energy density as a function of molecular physical properties Efficient product clearance through exit channels in substrate hydrolysis by acetylcholinesterase Effects of monohydric alcohols and polyols on the thermal stability of a protein On the physics of thermal-stability changes upon mutations of a protein. The generalized identification of truly interfacial molecules (ITIM) algorithm for nonplanar interfaces Reorientational dynamics of water confined in zeolites

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