Search Results - (Author, Cooperation:A. Hurley)
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1Latest Papers from Table of Contents or Articles in PressJ. F. Scheid ; H. Mouquet ; B. Ueberheide ; R. Diskin ; F. Klein ; T. Y. Oliveira ; J. Pietzsch ; D. Fenyo ; A. Abadir ; K. Velinzon ; A. Hurley ; S. Myung ; F. Boulad ; P. Poignard ; D. R. Burton ; F. Pereyra ; D. D. Ho ; B. D. Walker ; M. S. Seaman ; P. J. Bjorkman ; B. T. Chait ; M. C. Nussenzweig
American Association for the Advancement of Science (AAAS)
Published 2011Staff ViewPublication Date: 2011-07-19Publisher: American Association for the Advancement of Science (AAAS)Print ISSN: 0036-8075Electronic ISSN: 1095-9203Topics: BiologyChemistry and PharmacologyComputer ScienceMedicineNatural Sciences in GeneralPhysicsKeywords: Amino Acid Sequence ; Antibodies, Neutralizing/*chemistry/*immunology/metabolism ; Antibody Affinity ; Antibody Specificity ; Antigens, CD4/immunology/*metabolism ; Binding Sites ; Binding Sites, Antibody ; Cloning, Molecular ; Consensus Sequence ; Crystallography, X-Ray ; Genes, Immunoglobulin Heavy Chain ; HIV Antibodies/*chemistry/*immunology/metabolism ; HIV Envelope Protein gp120/chemistry/*immunology/metabolism ; HIV Infections/immunology ; Humans ; Immunoglobulin Fab Fragments/chemistry ; Immunoglobulin Heavy Chains/chemistry ; Immunoglobulin Light Chains/chemistry ; Molecular Mimicry ; Molecular Sequence Data ; Mutation ; Protein ConformationPublished by: -
2Articles: DFG German National LicensesStaff View
ISSN: 0167-0115Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002Topics: MedicineType of Medium: Electronic ResourceURL: -
3Articles: DFG German National LicensesStaff View
ISSN: 0020-7608Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical PhysicsSource: Wiley InterScience Backfile Collection 1832-2000Topics: Chemistry and PharmacologyNotes: The roles of kinetic and potential energy operators in the formation of a chemical bond are investigated using the virial and electrostatic theorems. It is shown that an integrated form of the virial theorem throws a new light on a paradox involving changes in the mean kinetic energy on bond formation. Detailed calculations on the ground state of H2+ lead to a surprisingly simple electrostatic approximation to the bond. The entire potential curve is given to good accuracy (ca. 80% bond energy) by the electrostatic forces between the two protons and a single, nodeless, spherically symmetric charge cloud representing the electron, provided that, if the bond is stretched beyond about 3.6 a.u. the charge cloud switches suddenly from a central location to a position near one proton.Additional Material: 4 Ill.Type of Medium: Electronic ResourceURL: -
4Articles: DFG German National LicensesStaff View
ISSN: 0020-7608Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical PhysicsSource: Wiley InterScience Backfile Collection 1832-2000Topics: Chemistry and PharmacologyNotes: Several techniques for calculating the Galois resolvents of polynomial equations are discussed and implemented. In particular, the method of power sums, in conjunction with the symbolic algebra program muMATH, is used to derive a complete set of explicit algebraic resolvents for the general sextic equation. A simple example, drawn from the theory of crystal elasticity, illustrates the utility of these results in answering the question “When is a polynomial equation (with multinomial coefficients) solvable?”.Type of Medium: Electronic ResourceURL: -
5Articles: DFG German National LicensesStaff View
ISSN: 0192-8651Keywords: Computational Chemistry and Molecular Modeling ; BiochemistrySource: Wiley InterScience Backfile Collection 1832-2000Topics: Chemistry and PharmacologyComputer ScienceNotes: It is shown how standard computer programs for calculating the equilibrium geometry of a molecule may be adapted to yield floating functions. These functions satisfy the Hellmann-Feynman theorem and so lead to simple electrostatic interpretations of intramolecular forces and vibrations. The theory is illustrated by detailed calculations for the water molecule.Additional Material: 2 Tab.Type of Medium: Electronic ResourceURL: