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Electrostatics

Insights into the Structure, Correlated Motions, and Electrostatic Properties of Two HIV-1 gp120 V3 Loops

Aliana López de Victoria, Phanourios Tamamis, Chris A. Kieslich, Dimitrios Morikis

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

Sandeep Chakraborty, Bjarni Ásgeirsson, Basuthkar J. Rao

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, [ ... ], Alexandre G. de Brevern

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

Dongying Gao, Jose C. Jimenez-Lopez, [ ... ], Scott A. Jackson

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

Gustavo Saluste, Maria I. Albarran, [ ... ], Julen Oyarzabal

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

Laura Guasch, Esther Sala, [ ... ], Gerard Pujadas

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

Laura Guasch, Maria José Ojeda, [ ... ], Gerard Pujadas

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

Muhammad Imtiaz Shafiq, Thomas Steinbrecher, Ralf Schmid

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

Andrea Hillebrand, Janina J. Post, [ ... ], Christian Schulze Gronover

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

Marc Guéroult, Olivier Boittin, [ ... ], Brigitte Hartmann

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

Elena Papaleo, Nicola Casiraghi, [ ... ], Luca De Gioia

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

Sandeep Chakraborty

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

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