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8 Publications visible to you, out of a total of 8
Fine-Tuning of Sequence Specificity by Near Attack Conformations in Enzyme-Catalyzed Peptide Hydrolysis

Abstract

Not specified

Author: S. Kashif Sadiq

Date Published: 1st Jun 2020

Publication Type: Journal

The HIV-1 ribonucleoprotein dynamically regulates its condensate behavior and drives acceleration of protease activity through membrane-less granular phase-separation

Abstract

Not specified

Authors: Sébastien Lyonnais, S. Kashif Sadiq, Cristina Lorca-Oró, Laure Dufau, Sara Nieto-Marquez, Tuixent Escriba, Natalia Gabrielli, Xiao Tan, Mohamed Ouizougun-Oubari, Josephine Okoronkwo, Michèle Reboud-Ravaux, José Maria Gatell, Roland Marquet, Jean-Christophe Paillart, Andreas Meyerhans, Carine Tisné, Robert J. Gorelick, Gilles Mirambeau

Date Published: 26th Jan 2019

Publication Type: Journal

Equilibrium model of drug-modulated GagPol-embedded HIV-1 reverse transcriptase dimerization to enhance premature protease activation

Abstract

Not specified

Authors: S. Kashif Sadiq, Gilles Mirambeau, Andreas Meyerhans

Date Published: 14th Sep 2018

Publication Type: Journal

Inter-subunit interactions drive divergent dynamics in mammalian and \textitPlasmodium actin filaments

Abstract

Not specified

Authors: Ross G. Douglas, Prajwal Nandekar, Julia-Elisabeth Aktories, Hirdesh Kumar, Rebekka Weber, Julia M. Sattler, Mirko Singer, Simone Lepper, S. Kashif Sadiq, Rebecca C. Wade, Friedrich Frischknecht

Date Published: 16th Jul 2018

Publication Type: Journal

New approaches for computing ligand–receptor binding kinetics

Abstract

Not specified

Authors: Neil J Bruce, Gaurav K Ganotra, Daria B Kokh, S Kashif Sadiq, Rebecca C Wade

Date Published: 1st Apr 2018

Publication Type: Journal

Computing Protein-Ligand Binding Association Rate Constants by Combining Brownian Dynamics and Molecular Dynamics Simulations

Abstract

Not specified

Authors: S Kashif Sadiq, Rebecca C Wade

Date Published: 2018

Publication Type: Journal

Kinetics for Drug Discovery: an industry-driven effort to target drug residence time

Abstract (Expand)

A considerable number of approved drugs show non-equilibrium binding characteristics, emphasizing the potential role of drug residence times for in vivo efficacy. Therefore, a detailed understanding … of the kinetics of association and dissociation of a target–ligand complex might provide crucial insight into the molecular mechanism-of-action of a compound. This deeper understanding will help to improve decision making in drug discovery, thus leading to a better selection of interesting compounds to be profiled further. In this review, we highlight the contributions of the Kinetics for Drug Discovery (K4DD) Consortium, which targets major open questions related to binding kinetics in an industry-driven public-private partnership.

Authors: Doris A. Schuetz, Wilhelmus Egbertus Arnout de Witte, Yin Cheong Wong, Bernhard Knasmueller, Lars Richter, Daria B. Kokh, S. Kashif Sadiq, Reggie Bosma, Indira Nederpelt, Laura H. Heitman, Elena Segala, Marta Amaral, Dong Guo, Dorothee Andres, Victoria Georgi, Leigh A. Stoddart, Steve Hill, Robert M. Cooke, Chris De Graaf, Rob Leurs, Matthias Frech, Rebecca C. Wade, Elizabeth Cunera Maria de Lange, Adriaan P. IJzerman, Anke Müller-Fahrnow, Gerhard F. Ecker

Date Published: 1st Jun 2017

Publication Type: Journal

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