Publications

382 Publications visible to you, out of a total of 382

Pathways and Mechanisms for Product Release in the Engineered Haloalkane Dehalogenases Explored Using Classical and Random Acceleration Molecular Dynamics Simulations

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Martin Klvana, Martina Pavlova, Tana Koudelakova, Radka Chaloupkova, Pavel Dvorak, Zbynek Prokop, Alena Stsiapanava, Michal Kuty, Ivana Kuta-Smatanova, Jan Dohnalek, Petr Kulhanek, Rebecca C. Wade, Jiri Damborsky

Date Published: 1st Oct 2009

Publication Type: Journal

DOI: 10.1016/j.jmb.2009.06.076

Citation: Journal of Molecular Biology 392(5):1339-1356

Created: 6th Dec 2019 at 16:24, Last updated: 5th Mar 2024 at 21:24

MetaPocket: A Meta Approach to Improve Protein Ligand Binding Site Prediction

Molecular and Cellular Modeling

Abstract

Not specified

Author: Bingding Huang

Date Published: 1st Aug 2009

Publication Type: Journal

DOI: 10.1089/omi.2009.0045

Citation: OMICS: A Journal of Integrative Biology 13(4):325-330

Created: 6th Dec 2019 at 16:13, Last updated: 5th Mar 2024 at 21:24

Computational Simulations of Protein– Protein and Protein– Nucleic Acid Association

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Georgi V. Pachov, Razif R. Gabdoulline, Rebecca C. Wade

Date Published: 16th Jul 2009

Publication Type: InBook

DOI: 10.1201/9781420070071

Citation: CRC Press

Created: 6th Dec 2019 at 16:32, Last updated: 5th Mar 2024 at 21:24

On the Contributions of Diffusion and Thermal Activation to Electron Transfer between Phormidium laminosum Plastocyanin and Cytochrome f: Brownian Dynamics Simulations with Explicit Modeling of Nonpolar Desolvation Interactions and Electron Transfer Events

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Razif R. Gabdoulline, Rebecca C. Wade

Date Published: 8th Jul 2009

Publication Type: Journal

DOI: 10.1021/ja809567k

Citation: J. Am. Chem. Soc. 131(26):9230-9238

Created: 6th Dec 2019 at 16:24, Last updated: 6th Dec 2019 at 16:25

Design, Synthesis, and Biological Evaluation of Levoglucosenone-Derived Ras Activation Inhibitors

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Christian Müller, Maria Antonia Gomez-Zurita Frau, Dario Ballinari, Sonia Colombo, Alessandro Bitto, Enzo Martegani, Cristina Airoldi, Anske Stephanie van Neuren, Matthias Stein, Jörg Weiser, Carlo Battistini, Francesco Peri