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Electrostatics

A Measure of the Broad Substrate Specificity of Enzymes Based on ‘Duplicate’ Catalytic Residues

Sandeep Chakraborty, Bjarni Ásgeirsson, Basuthkar J. Rao

published 16 Nov 2012

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Modeling and Molecular Dynamics of HPA-1a and -1b Polymorphisms: Effects on the Structure of the β3 Subunit of the αIIbβ3 Integrin

Vincent Jallu, Pierre Poulain, Patrick F. J. Fuchs, Cecile Kaplan, Alexandre G. de Brevern

published 14 Nov 2012

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Functional and Structural Divergence of an Unusual LTR Retrotransposon Family in Plants

Dongying Gao, Jose C. Jimenez-Lopez, Aiko Iwata, Navdeep Gill, Scott A. Jackson

published 31 Oct 2012

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Fragment-Hopping-Based Discovery of a Novel Chemical Series of Proto-Oncogene PIM-1 Kinase Inhibitors

Gustavo Saluste, Maria I. Albarran, Rosa M. Alvarez, Obdulia Rabal, Miguel Angel Ortega, Carmen Blanco, Guido Kurz, Antonio Salgado, Paolo Pevarello, James R. Bischoff, Joaquin Pastor, Julen Oyarzabal

published 24 Oct 2012

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Identification of Novel Human Dipeptidyl Peptidase-IV Inhibitors of Natural Origin (Part II): In Silico Prediction in Antidiabetic Extracts

Laura Guasch, Esther Sala, María José Ojeda, Cristina Valls, Cinta Bladé, Miquel Mulero, Mayte Blay, Anna Ardévol, Santiago Garcia-Vallvé, Gerard Pujadas

published 21 Sep 2012

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Identification of Novel Human Dipeptidyl Peptidase-IV Inhibitors of Natural Origin (Part I): Virtual Screening and Activity Assays

Laura Guasch, Maria José Ojeda, Noemí González-Abuín, Esther Sala, Adrià Cereto-Massagué, Miquel Mulero, Cristina Valls, Montserrat Pinent, Anna Ardévol, Santiago Garcia-Vallvé, Gerard Pujadas

published 12 Sep 2012

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FASCAPLYSIN as a Specific Inhibitor for CDK4: Insights from Molecular Modelling

Muhammad Imtiaz Shafiq, Thomas Steinbrecher, Ralf Schmid

published 14 Aug 2012

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Down-Regulation of Small Rubber Particle Protein Expression Affects Integrity of Rubber Particles and Rubber Content in Taraxacum brevicorniculatum

Andrea Hillebrand, Janina J. Post, David Wurbs, Daniela Wahler, Malte Lenders, Vladislav Krzyzanek, Dirk Prüfer, Christian Schulze Gronover

published 23 Jul 2012

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Mg²⁺ in the Major Groove Modulates B-DNA Structure and Dynamics

Marc Guéroult, Olivier Boittin, Oliver Mauffret, Catherine Etchebest, Brigitte Hartmann

published 23 Jul 2012

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Loop 7 of E2 Enzymes: An Ancestral Conserved Functional Motif Involved in the E2-Mediated Steps of the Ubiquitination Cascade

Elena Papaleo, Nicola Casiraghi, Alberto Arrigoni, Marco Vanoni, Paola Coccetti, Luca De Gioia

published 18 Jul 2012

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An Automated Flow for Directed Evolution Based on Detection of Promiscuous Scaffolds Using Spatial and Electrostatic Properties of Catalytic Residues

Sandeep Chakraborty

published 11 Jul 2012

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A Study on the Effect of Surface Lysine to Arginine Mutagenesis on Protein Stability and Structure Using Green Fluorescent Protein

Sriram Sokalingam, Govindan Raghunathan, Nagasundarapandian Soundrarajan, Sun-Gu Lee

published 09 Jul 2012

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A Common Ca²⁺-Driven Interdomain Module Governs Eukaryotic NCX Regulation

Moshe Giladi, Yehezkel Sasson, Xianyang Fang, Reuben Hiller, Tal Buki, Yun-Xing Wang, Joel A. Hirsch, Daniel Khananshvili

published 29 Jun 2012

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