Results 11 to 20 of about 38,546 (222)

Clostridium perfringensepsilon toxin H149A mutant as a platform for receptor binding studies [PDF]

, 2013
Clostridium perfringens epsilon toxin (Etx) is a pore-forming toxin responsible for a severe and rapidly fatal enterotoxemia of ruminants. The toxin is classified as a category B bioterrorism agent by the U.S.
Titball, R.W., Kokkinidou, Maria C., Richard W. Titball, Bokori-Brown, M., Kokkinidou, M.C., Claire E. Naylor, Fernandes da Costa, S.P., Moss, David S., Titball, Richard W., Monika Bokori‐Brown, Maria C. Kokkinidou, David S. Moss, Basak, Ajit K., Bokori-Brown, Monika, Cole, Ambrose R., Sérgio Fernandes da Costa, Naylor, Claire E., Ambrose R. Cole, Fernandes da Costa, Sérgio P., Christos G. Savva, Ajit K. Basak, Savva, Christos G.   +21 more
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Quantitative comparison of catalytic mechanisms and overall reactions in convergently evolved enzymes : implications for classification of enzyme function [PDF]

, 2010
The authors thank the National Institutes of Health (NIH R01 GM60595 to PCB) and the Scottish Universities Life Sciences Alliance (SULSA to JBOM) for funding.Functionally analogous enzymes are those that catalyze similar reactions on similar substrates ...
Almonacid, Daniel E, Daniel E Almonacid, Yera, Emmanuel R., Yera, Emmanuel R, Babbitt, Patricia C., Babbitt, Patricia C, John B O Mitchell, Almonacid Daniel E., Almonacid, Daniel E., Patricia C Babbitt, Yera Emmanuel R., Mitchell, John BO, Mitchell John B. O., Babbitt Patricia C., Emmanuel R Yera, Mitchell, John B. O.   +15 more
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Additional file 1 of Evolutionary chemical binding similarity approach integrated with 3D-QSAR method for effective virtual screening

, 2020
Additional file 1: Figure S1. The percentage of control (POC) and binding constant values of the final hits. For every inhibitor proved in biochemical assay, its binding constant (Kd in nM) and percentage of control (the lowest percentage of control or kinase in solid support confirms the competition between test molecule and immobilized molecule for ...
Durai, Prasannavenkatesh, Ko, Young-Joon, Pan, Cheol-Ho, Park, Keunwan   +3 more
openaire   +1 more source

A multidimensional strategy to detect polypharmacological targets in the absence of structural and sequence homology [PDF]

, 2010
Conventional drug design embraces the "one gene, one drug, one disease" philosophy. Polypharmacology, which focuses on multi-target drugs, has emerged as a new paradigm in drug discovery.
Chen Zhijun, Rommie E. Amaro, Wunder Frank, Michael D. Urbaniak, Philip E. Bourne, Amaro, Rommie E., McCammon, J. Andrew, Urbaniak, Michael D., Michael D Urbaniak, Lei Xie, Michael A J Ferguson, Wunder, Frank, Ferguson Michael A. J., Jacob D. Durrant, Jacob D Durrant, Di Guilmi, Anne Marie, Zhijun Chen, Haapalainen Antti, Urbaniak Michael D., McCammon J. Andrew, J Andrew McCammon, Durrant, Jacob D., Xie, Lei, Rommie E Amaro, Chen, Zhijun, Ferguson, Michael A. J.; id_orcid, Frank Wunder, Amaro Rommie E., Bourne Philip E., Antti Haapalainen, Durrant Jacob D., J. Andrew McCammon, Di Guilmi Anne Marie, Michael A. J. Ferguson, Xie Lei, Bourne, Philip E., Ferguson, Michael A. J., Haapalainen, Antti, Anne Marie Di Guilmi, Philip E Bourne   +39 more
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Mixed-model QSAR at the glucocorticoid and liver X receptors [PDF]

, 2009
The presence of hormonally active compounds in the biosphere has become a worldwide environmental concern, and measures such as policy acts and regulations try to address the problem, both in Europe and in the United States.
Spreafico, Morena
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Ranking Protein-Protein Binding Using Evolutionary Information and Machine Learning [PDF]

, 2017
Discriminating native-like complexes from false-positives with high accuracy is one of the biggest challenges in protein-protein docking. The relationship between various favorable intermolecular interactions (e.g.
Haspel, Nurit, Akbal-Delibas, Bahar, Farhoodi, Roshanak, Delıbaş, Ayşe Bahar   +3 more
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Inactive alleles of cytochrome P450 2C19 may be positively selected in human evolution [PDF]

, 2014
© 2014 Janha et al.; licensee BioMed Central Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and ...
Worwui, A, Shaheen, Seif O, Walton, Robert T., Worwui, Archibald, Walton, RT, Linton, Kenneth J, Sisay-Joof, F, Linton, KJ, Janha, Ramatoulie E, Kenneth J Linton, Shaheen, SO, Ramatoulie E Janha, Archibald Worwui, Fatoumatta Sisay-Joof, Seif O Shaheen, Robert T Walton, Janha, RE, Sisay-Joof, Fatoumatta   +17 more
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Correlation between Protein Function and Ligand Binding Profiles [PDF]

, 2016
We report that proteins with the same function bind the same set of small molecules from a standardized chemical library. This observation led to a quantifiable and rapidly adaptable method for protein functional analysis using experimentally derived ...
Robert Powers (116816), Michael Bokemper (2203057), Jaime L. Stark (2203060), Matthew D. Shortridge (370029), Jennifer C. Copeland (2203063)   +4 more
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Structural insights into an engineered feruloyl esterase with improved MHET degrading properties

FEBS Letters, EarlyView.
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa, Konstantinos Makryniotis, Theofani‐Iosifina Sousani, Evangelos Topakas, Vangelis Daskalakis, Maria Dimarogona   +5 more
wiley   +1 more source

Quantitative and evolutionary global analysis of enzyme reaction mechanisms [PDF]

, 2015
The most widely used classification system describing enzyme-catalysed reactions is the Enzyme Commission (EC) number. Understanding enzyme function is important for both fundamental scientific and pharmaceutical reasons.
Nath, Neetika
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