Publications

453 Publications visible to you, out of a total of 453

Ways and Means to Enhance the Configurational Sampling of Small Peptides in Aqueous Solution in Molecular Dynamics Simulations

Molecular and Cellular Modeling

Abstract

Not specified

Authors: F. Nardi, R.C. Wade

Date Published: 1999

Publication Type: InCollection

Citation: In Theoretical and Computational Chemistry Book Series, vol. 7, pp. Ch. 21, 859–898, Eds. Balbuena,P.B. and Seminario,J.M., Elsevier Science: Amsterdam, Netherlands

Created: 13th Dec 2019 at 10:20, Last updated: 5th Mar 2024 at 21:24

L-Alanyl-L-alanine in the zwitterionic state: structures determined in the presence of explicit water molecules and with continuum models using density functional theory

Molecular and Cellular Modeling

Abstract

Not specified

Authors: M Knapp-Mohammady, K.J Jalkanen, F Nardi, R.C Wade, S Suhai

Date Published: 1999

Publication Type: Journal

DOI: 10.1016/S0301-0104(98)00387-5

Citation: Chemical Physics 240(1-2):63-77

Created: 13th Dec 2019 at 10:20, Last updated: 5th Mar 2024 at 21:24

Molecular Dynamics and NMR Spectroscopic Studies of Local Interactions of Small Peptides in Aqueous Solution Involving Aromatic Residues

Molecular and Cellular Modeling

Abstract

Not specified

Author: Frederico Nardi

Date Published: 1999

Publication Type: Doctoral Thesis

Citation: Universite Joseph Fourier, Grenoble

Created: 13th Dec 2019 at 14:28, Last updated: 5th Mar 2024 at 21:24

Computational studies of blue copper proteins

Molecular and Cellular Modeling

Abstract

Not specified

Author: Francesca De Rienzo

Date Published: 1999

Publication Type: Doctoral Thesis

Citation: University of Modena and Reggio Emilia, Modena

Created: 13th Dec 2019 at 14:28, Last updated: 5th Mar 2024 at 21:24

Chloride ion exchange routes in Haloalkane Dehalogenase from Xanthobacter autrophicus detected by Thermal Motion Pathway analysis, GRID and Essential Dynamics

Molecular and Cellular Modeling

Abstract

Not specified

Author: Masakazu Koboyashi

Date Published: 1999

Publication Type: Master's Thesis

Citation: University of York

Created: 13th Dec 2019 at 14:28, Last updated: 5th Mar 2024 at 21:24

StarDOM: From STAR format to XML

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Jens P. Linge, Michael Nilges, Lutz Ehrlich

Date Published: 1999

Publication Type: Journal

DOI: 10.1023/A:1008347330165

Citation: Journal of Biomolecular NMR,15(2):169-172

Created: 23rd Jan 2020 at 14:44, Last updated: 5th Mar 2024 at 21:24

Molekulardynamische Simulation zur Aufklaerung des Substratzuganges in Cytochrom P450eryF

Molecular and Cellular Modeling

Abstract

Not specified

Author: Ralph Gauges

Date Published: 1999

Publication Type: Diplom Thesis

Citation: Biology, Eberhard-Karls University, Tubingen

Created: 12th Feb 2020 at 14:58, Last updated: 5th Mar 2024 at 21:24

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