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382 Publications visible to you, out of a total of 382
On the use of PIPSA to Guide Target-Selective Drug Design

Abstract

Not specified

Authors: Stefan Henrich, Stefan Richter, Rebecca C. Wade

Date Published: 14th Mar 2008

Publication Type: Journal

CB Receptor Ligands from Plants

Abstract

Not specified

Authors: Rudolf Bauer, Karin Woelkart, Outi Salo-Ahen

Date Published: 1st Feb 2008

Publication Type: Journal

Editorial: The Medicinal Chemistry of Agents Targeting the Endogenous Cannabinoid System

Abstract

Not specified

Author: Outi Salo-Ahen

Date Published: 1st Feb 2008

Publication Type: Journal

Calculating enzyme kinetic parameters from protein structures

Abstract

Not specified

Authors: Matthias Stein, Razif R. Gabdoulline, Rebecca C. Wade

Date Published: 22nd Jan 2008

Publication Type: Journal

Mechanism of Auxin Interaction with Auxin Binding Protein (ABP1): A Molecular Dynamics Simulation Study

Abstract

Not specified

Authors: Branimir Bertoša, Biserka Kojić-Prodić, Rebecca C. Wade, Sanja Tomić

Date Published: 2008

Publication Type: Journal

Mechanism of auxin interaction with auxin binding protein (ABP1): a molecular dynamics simulation study

Abstract

Not specified

Authors: Branimir Bertoša, Biserka Kojić-Prodić, Rebecca C. Wade, Sanja Tomić

Date Published: 2008

Publication Type: Journal

Molecular Recognition: Computational Analysis and Modelling

Abstract (Expand)

Abstract Molecular recognition is critical to many fundamental processes in biology, including enzymatic reactions, signal transduction, genetic information processing, as well as molecular and cellular … transport. The question of how proteins selectively recognize and correctly associate with their partners is an active research problem. For many proteins, experimental information about the structures of their molecular complexes and the details of their interactions are lacking. Macromolecular, structure-based computational techniques provide a means to predict the interactions of proteins and to investigate their recognition mechanisms. Here, we first discuss the general mechanism of molecular recognition as a multistep process from diffusion of one molecule toward the second to tight complex formation. We then describe the main forces and the physical properties that govern biomolecular interactions and introduce the principles of modeling them. Finally, simulation methods and computational approaches for molecular docking are briefly presented.

Authors: Anna Feldman-Salit, Rebecca C. Wade

Date Published: 14th Dec 2007

Publication Type: InBook

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