Exploration of the free-energy surface of a three-helix peptide with stochastic optimization methods (Englisch)
- Neue Suche nach: Herges, T.
- Neue Suche nach: Herges, T.
- Neue Suche nach: Schug, A.
- Neue Suche nach: Wenzel, W.
In:
International journal of quantum chemistry
;
99
, 5
; 854-863
;
2004
-
ISSN:
- Aufsatz (Zeitschrift) / Print
-
Titel:Exploration of the free-energy surface of a three-helix peptide with stochastic optimization methods
-
Beteiligte:
-
Erschienen in:International journal of quantum chemistry ; 99, 5 ; 854-863
-
Verlag:
- Neue Suche nach: Wiley
-
Erscheinungsort:New York, NY
-
Erscheinungsdatum:2004
-
ISSN:
-
ZDBID:
-
Medientyp:Aufsatz (Zeitschrift)
-
Format:Print
-
Sprache:Englisch
- Neue Suche nach: 35.11
- Weitere Informationen zu Basisklassifikation
- Neue Suche nach: 770/3615
-
Schlagwörter:
-
Klassifikation:
-
Datenquelle:
Inhaltsverzeichnis – Band 99, Ausgabe 5
Zeige alle Jahrgänge und Ausgaben
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
- 567
-
PrefaceMaruani, Jean / Lefebvre, Roland / Brandas, Erkki et al. | 2004
- 569
-
Magnetically quantized continuum distorted‐wave theory in atomic and molecular collisionsO'Rourke, S. F. C. / McSherry, D. M. / Crothers, D. S. F. et al. | 2004
- 577
-
Rotational and alignment effects in a wave packet calculation for the Cl + H2 reactionSkouteris, Dimitris / Laganà, Antonio / Capecchi, Gabriella / Werner, Hans‐Joachim et al. | 2004
- 585
-
Ab initio study of the ammonia–ammonia dimer: BSSE‐free structures and intermolecular harmonic vibrational frequenciesBende, A. / Vibók, Á. / Halász, G. J. / Suhai, S. et al. | 2004
- 594
-
Analytic–numerical approach to calculate electronic nonadiabatic coupling terms: Study of the C2H molecule and the H2 + H systemVibók, Á. / Halász, G. / A. M. Mebel / Hu, S. / Baer, M. et al. | 2004
- 605
-
Ab initio study of the CH3O2 self‐reaction in gas phase: Elucidation of the CH3O2 CH3O2 → 2CH3O O2 pathwayFeria, L. / Gonzalez, C. / Castro, M. et al. | 2004
- 616
-
Quantum dynamics of clusters on experimental potential energy surfaces: Triplet and quintet O2‐O2 surfaces and dimers of para‐N2 with ortho‐ and para‐N2 and with O2Carmona‐Novillo, Estela / Pirani, Fernando / Aquilanti, Vincenzo et al. | 2004
- 628
-
Double‐electron capture processes in charge transfer reactionsTergiman, Y. S. / Bacchus‐Montabonel, M. C. et al. | 2004
- 634
-
Computations of the catalytic effects in the stone–wales fullerene isomerizations: N and CN agentsSlanina, Zdenĕk / Uhlík, Filip / Adamowicz, Ludwik / Lee, Shyi‐Long et al. | 2004
- 640
-
Computing enthalpy–entropy interplay for isomeric fullerenesSlanina, Z. / Zhao, X. / Uhlík, F. / Lee, S.‐L. / Adamowicz, L. et al. | 2004
- 654
-
Tight‐binding parameterization of transition and noble metal clustersFortunelli, Alessandro / Velasco, Ana Marìa et al. | 2004
- 667
-
Magnetic interactions in nonalternant mixed molecular radical crystals and mixed ion radical crystalsMinkov, I. / Tadjer, A. et al. | 2004
- 677
-
Density functional theory study of point defects in the SiSiO2 system and in substoichiometric titanium dioxide TiO2−xCapron, N. / Boureau, G. et al. | 2004
- 677
-
Density functional theory study of point defects in the SibondSiO2 system and in substoichiometric titanium dioxide TiO2-xCapron, N. et al. | 2004
- 685
-
Simulation of liquid water using a high‐rank quantum topological electrostatic potentialLiem, S. Y. / Popelier, P. L. A. / Leslie, M. et al. | 2004
- 695
-
Hybrid QM/MM embedding approach for the treatment of localized surface states in ionic materialsSokol, Alexey A. / Bromley, Stefan T. / French, Samuel A. / Catlow, C. Richard A. / Sherwood, Paul et al. | 2004
- 713
-
The (100), (110), and (111) Cu surfaces revisited by the semiempirical LCAO methodCortona, Pietro / Sapet, Christophe et al. | 2004
- 724
-
Structure of stable double‐ionic model water clusters of quaternary alkylammonium surfactants with some monovalent counterions as derived by the DFT methodZieliński, Ryszard / Szymusiak, Henryk et al. | 2004
- 735
-
Orientational ordering in physisorbed molecular layers induced by surface geometry and confinementRamseyer, C. / Pouthier, V. / Humbert, J. / Girardet, C. et al. | 2004
- 743
-
Electronic and electrical response of arrays of metallic quantum dotsRemacle, F. / Levine, R. D. et al. | 2004
- 752
-
Resonant tunneling probabilities for an N‐terminal junction by the flux averaging methodBerman, Lihu / Peskin, Uri et al. | 2004
- 758
-
Quantum dynamical manifolds: Pair states in high‐temperature superconductivityScofield, D. F. / Collins, T. C. et al. | 2004
- 790
-
Density functional theory for superconductorsLathiotakis, N. N. / Marques, M. A. L. / Lüders, M. / Fast, L. / Gross, E. K. U. et al. | 2004
- 798
-
Two‐fluid model of superconducting condensates and spin gaps in d‐wave high Tc cuprates from repulsive electronic correlationsDunne, Lawrence J. / Brändas, Erkki J. et al. | 2004
- 805
-
Periodic approach to the electronic structure and magnetic coupling in KCuF3, K2CuF4, and Sr2CuO2Cl2 low‐dimensional magnetic systemsMoreira, Ibério de Pinho Ribeiro / Dovesi, Roberto et al. | 2004
- 824
-
First‐principles calculation of formation energy of neutral point defects in perovskite‐type BaTiO3Moriwake, Hiroki et al. | 2004
- 828
-
Ab‐initio study of the structural phase transition of SrSe and SrTe under pressureCortona, Pietro et al. | 2004
- 833
-
Effect of static electric field on the HF band structure of a guanine stackMartinez, A. / Bogar, F. / Otto, P. / Ladik, J. et al. | 2004
- 841
-
Theoretical study of hydrogenation of thiouracils and their base pairs with adenineEriksson, Leif A. / Kryachko, Eugene S. / Nguyen, Minh T. et al. | 2004
- 854
-
Exploration of the free‐energy surface of a three‐helix peptide with stochastic optimization methodsHerges, T. / Schug, A. / Wenzel, W. et al. | 2004
- 864
-
First‐principle calculations for the active centers in vanadium‐containing chloroperoxidase and its functional models: Geometrical and spectral propertiesBorowski, Tomasz / Szczepanik, Waldemar / Chruszcz, Maksymilian / Brocławik, Ewa et al. | 2004