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352 Publications visible to you, out of a total of 352

Use of Multiple Molecular Dynamics Trajectories to Study Biomolecules in Solution: The YTGP Peptide

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Graham A. Worth, Frederico Nardi, Rebecca C. Wade

Date Published: 1998

Publication Type: Journal

DOI: 10.1021/jp9808532

Citation: J. Phys. Chem. B 102(32):6260-6272

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

Electrostatic steering and ionic tethering in enzyme-ligand binding: Insights from simulations

Molecular and Cellular Modeling

Abstract

Not specified

Authors: R. C. Wade, R. R. Gabdoulline, S. K. Ludemann, V. Lounnas

Date Published: 1998

Publication Type: Journal

DOI: 10.1073/pnas.95.11.5942

Citation: Proceedings of the National Academy of Sciences 95(11):5942-5949

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

Classification of auxin related compounds based on similarity of their interaction fields: Extension to a new set of compounds

Molecular and Cellular Modeling

Abstract

Not specified

Authors: S. Tomic, R.R. Gabdoulline, B. Kojic-Prodic, R.C. Wade

Date Published: 1998

Publication Type: Journal

Citation: Internet J. Chem. 1:26

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

Importance of explicit salt ions for protein stability in molecular dynamics simulation

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Gulshat T. Ibragimova, Rebecca C. Wade

Date Published: 1998

Publication Type: Journal

DOI: 10.1016/S0006-3495(98)77997-4

Citation: Biophysical Journal 74(6):2906-2911

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

Computational Alchemy to Calculate Absolute Protein-Ligand Binding Free Energy

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Volkhard Helms, Rebecca C. Wade

Date Published: 1998

Publication Type: Journal

DOI: 10.1021/ja9738539

Citation: J. Am. Chem. Soc. 120(12):2710-2713

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

Brownian Dynamics

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Jeffry D. Madura, James M. Briggs, Rebecca C. Wade, Razif R. Gabdoulline

Date Published: 1998

Publication Type: InCollection

DOI: 10.1002/0470845015.cba003

Citation: John Wiley & Sons, Ltd

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

Classification of auxin plant hormones by interaction property similarity indices

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Sanja Tomić, Razif R. Gabdoulline, Biserka Kojić-Prodić, Rebecca C. Wade

Date Published: 1998

Publication Type: Journal

DOI: 10.1023/A:1007973008558

Citation: J. Comput. Aided Mol. Des. 12:63–79

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

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