A Simple Approach to Modelling Supramolecular Complexes and Mechanically-Interlocked Molecules (English)
- New search for: Ricketts, H. G.
- New search for: Stoddart, J. F.
- New search for: Hann, M. M.
- New search for: Ricketts, H. G.
- New search for: Stoddart, J. F.
- New search for: Hann, M. M.
In:
Computational Approaches in Supramolecular Chemistry
;
377-390
;
1994
-
ISSN:
- Article/Chapter (Book) / Electronic Resource
-
Title:A Simple Approach to Modelling Supramolecular Complexes and Mechanically-Interlocked Molecules
-
Contributors:
-
Published in:NATO ASI Series ; 426 ; 377-390
-
Publisher:
- New search for: Springer Netherlands
-
Place of publication:Dordrecht
-
Publication date:1994-01-01
-
Size:14 pages
-
ISBN:
-
ISSN:
-
DOI:
-
Type of media:Article/Chapter (Book)
-
Type of material:Electronic Resource
-
Language:English
-
Keywords:
-
Source:
Table of contents eBook
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
-
Water Structure from Computational ChemistryCorongiu, G. / Clementi, E. et al. | 1994
- 31
-
Ionic Hydrogen Bond Assemblies in Clusters: Resources and Opportunities for ModelingMeot-Ner, Michael et al. | 1994
- 51
-
Non-Covalent Interactions in Organic Crystals, and the Calibration of Empirical Force FieldsGavezzotti, A. / Filippini, G. et al. | 1994
- 63
-
Hydrogen-Bond Descriptors for Solute MoleculesAbraham, Michael H. et al. | 1994
- 79
-
Molecular Recognition of Dinucleotides and Amino Acids by Artificial Receptors Containing a Bicyclic Guanidinium SubunitMendoza, J. / Gago, F. et al. | 1994
- 101
-
Intra- and Intermolecular Hydrogen Bonding Control of Supramolecular StructureHamilton, Andrew D. / Hamuro, Yoshitomo / Yang, Ji / Geib, Steven J. / Fan, Erkang et al. | 1994
- 109
-
New Supramolecular Architecture Based on Hydrogen BondingZimmerman, Steven G. / Murray, Thomas J. et al. | 1994
- 117
-
Studies Toward Computer Liquid Phase Simulations of the Solvent-Dependency of Apolar Association Strength: Conformational Analysis of a Cyclophane-Pyrene Complex by Pseudo Monte Carlo and Molecular Dynamics MethodsDenti, Tiziana Mordasini / Gunsteren, Wilfred / Diederich, François et al. | 1994
- 137
-
Rational Approaches Towards Protease Inhibition: Predicting the Binding of Thrombin InhibitorsGrootenhuis, Peter D. J. / Helden, Steven P. et al. | 1994
- 151
-
Receptor-Ligand Interactions in Pharmacology and Drug DesignHibert, M. F. / Trumpp-Kallmeyer, S. / Hoflack, J. et al. | 1994
- 161
-
Modeling Interactions with Benzene: Aryl-Aryl, Cation-π, and Chaotrope-πJorgensen, William L. / Severance, Daniel L. / Duffy, Erin M. et al. | 1994
- 175
-
The Nature of Molecular Recognition: Examples from Host/Guest ChemistryKollman, P. A. et al. | 1994
- 183
-
Computational Aspects in Supramolecular Chemistry: Chiral Discrimination in ChromatographyLipkowitz, K. B. / Anderson, A. G. et al. | 1994
- 199
-
Determination of Conformationally Dependent Point Charges for Potential of Mean Force SimulationsMarrone, T. J. / Hartsough, D. S. / Merz, K. M. Jr. et al. | 1994
- 205
-
Structural and Dynamic Features of Molecular Clips Derived from DiphenylglycolurilReek, J. N. H. / Sijbesma, R. P. / Nolte, R. J. M. et al. | 1994
- 221
-
Solvation and Complexation: From Cation Complexation to Excited-State StabilisationParker, D. et al. | 1994
- 237
-
Metallocycles and -CleftsVeggel, Frank C. J. M. / Hoorn, Willem Paul / Reinhoudt, David N. et al. | 1994
- 265
-
Experimental Approaches to Interaction Energies and Structures in Supramolecular ComplexesSchneider, H.-J. / Rüdiger, V. / Wang, M. et al. | 1994
- 277
-
Complexation of Ions and Neutral Molecules by Functionalized CalixarenesUngaro, R. / Arduini, A. / Casnati, A. / Ori, O. / Pochini, A. / Ugozzoli, F. et al. | 1994
- 301
-
Experimental and Computational Studies of Cation-π Interactions in Natural and Synthetic Receptors. Benzene as a PseudoanionDougherty, D. A. / Kearney, P. C. / Mizoue, L. S. / Kumpf, R. A. / Forman, J. E. / McCurdy, A. et al. | 1994
- 311
-
Architecture of new Concave Host MoleculesVögtle, F. / Seel, C. / Berscheid, R. / Groß, J. / Windscheif, P.-M. et al. | 1994
- 319
-
MD Simulations on Synthetic Ionophores and Their Cation Complexes: Comparison of Aqueous/Non-Aqueous SolventsWipff, G. / Troxler, L. et al. | 1994
- 349
-
The Role of Energy Calculations in the Design, Synthesis and Study of Biologically Active Iron (III) CarriersLifson, S. / Felder, C. E. / Libman, J. / Shanzer, A. et al. | 1994
- 377
-
A Simple Approach to Modelling Supramolecular Complexes and Mechanically-Interlocked MoleculesRicketts, H. G. / Stoddart, J. F. / Hann, M. M. et al. | 1994
- 391
-
Molecular Motions in Catenands and Catenates Studied by 13C NMR Relaxation TimesKintzinger, J.-P. / Bourgeois, H. / Edel, A. / Graff, R. / Chambron, J.-C. / Dietrich-Buchecker, C. O. / Sauvage, J.-P. et al. | 1994
- 399
-
Simulation of Self-Assembled Monolayers: Microscopic Structure of Amino AlkylthiolsRöthlisberger, Ursula / Klein, Michael L. / Sprik, Michiel et al. | 1994
- 411
-
Langmuir Films of Amphiphilic Alcohols and Surfaces of Polar Crystals as Templates for ice NucleationPopovitz-Biro, R. / Majewski, J. / Wang, J. L. / Kjaer, K. / Als-Nielsen, J. / Lahav, M. / Leiserowitz, L. et al. | 1994
- 419
-
Molecular Dynamics Study of a Sequence Specific Protein-DNA InteractionBishop, T. / Schulten, K. et al. | 1994
- 441
-
Molecular Dynamics Simulation of a DNA Binding Protein free and in Complex with DNAEriksson, Mats / Härd, Torleif / Nilsson, Lennart et al. | 1994
- 457
-
Supramolecular Interactions and Atomic Dynamics in Proteins and Peptide Crystals. Jumps, Lattice Waves, ane Liquid-Like DiffusionSmith, J. C. / Durand, D. / Field, M. / Furois-Corbin, S. / Kneller, G. R. / Nina, M. / Roux, B. et al. | 1994
- 477
-
Molecular Recognition: An Example from Ligand Binding to ProteinsKarplus, M. / Lau, F. T. K. et al. | 1994
- 495
-
HIV-1 Proteinase Inhibitor Binding. The Effect of Active Site Conformational Restraints on Calculated free Energies of Ligand BindingStraatsma, T. P. et al. | 1994
- 515
-
Free Energy and Binding SelectivityMcCammon, J. Andrew et al. | 1994
- 519
-
Structure and Dynamics of the Sidechains of the Gramicidin Channel in a DMPC BilayerWoolf, T. B. / Desharnais, J. / Roux, B. et al. | 1994