Publications

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455 Publications visible to you, out of a total of 455

Force Field Effects on a beta-sheet Protein Domain Structure in Thermal Unfolding Simulations

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Ting Wang, Rebecca C. Wade

Date Published: 2006

Publication Type: Journal

DOI: 10.1021/ct0501607

Citation: J. Chem. Theory Comput. 2(1):140-148

Created: 6th Dec 2019 at 21:19, Last updated: 5th Mar 2024 at 21:24

Use of Vibrational Spectroscopy to Study Protein and DNA Structure, Hydration, and Binding of Biomolecules: A Combined Theoretical and Experimental Approach

Molecular and Cellular Modeling

Abstract

Not specified

Authors: K. J. Jalkanen, V. Würtz Jürgensen, A. Claussen, A. Rahim, G. M. Jensen, R. C. Wade, F. Nardi, C. Jung, I. M. Degtyarenko, R. M. Nieminen, F. Herrmann, M. Knapp-Mohammady, T. A. Niehaus, K. Frimand, S. Suhai

Date Published: 2006

Publication Type: Journal

DOI: 10.1002/qua.20863

Citation: Int. J. Quantum Chem. 106(5):1160-1198

Created: 6th Dec 2019 at 21:19, Last updated: 5th Mar 2024 at 21:24

Characterization of Protein- Binding Sites and Ligands Using Molecular Interaction Fields

Molecular and Cellular Modeling

Abstract

Not specified

Authors: G. Cruciani, E. Carosati, R.C. Wade, M. Baroni

Date Published: 2006

Publication Type: InCollection

Citation: In Comprehensive Medicinal Chemistry II, vol. 4, pp. 237–253, Ed. Triggle, D.J. and Taylor, J.B., Elsevier: Oxford

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

Structural, Energetic and Dynamic Aspects of Ligand-Receptor Interactions

Molecular and Cellular Modeling

Abstract

Not specified

Authors: D. Motiejunas, R.C. Wade

Date Published: 2006

Publication Type: InCollection

Citation: In Comprehensive Medicinal Chemistry II, vol. 4, pp. pp.193–213, Ed. Triggle, D.J. and Taylor, J.B., Elsevier: Oxford

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

From Computational Biophysics to Systems Biology 2006

Molecular and Cellular Modeling

Abstract

Not specified

Authors: M. Stein, R.R. Gabdoulline, R.C. Wade

Date Published: 2006

Publication Type: InProceedings

Citation: In Integrating Structural and Kinetic Enzymatic Information in Systems Biology, vol. 34 of NIC Series, pp. 129–132, Hansmann, Ulrich H.E.; Meinke, Jan; Mohanty, Sandipan; Zimmermann, Olav (Eds.)

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

Force Field Effects on a b-sheet Protein Domain Structure in Thermal Unfolding Simulations

Molecular and Cellular Modeling