Molecular simulation of N-acetylneuraminic acid analogs and molecular dynamics studies of cholera toxin-Neu5Gc complex

Cis–trans isomerization of omega dihedrals in proteins

(2013) Pierrick Craveur et al.   AMINO ACIDS

Cholera Toxin Notches Epithelial Junctions

(2013) Emmanuel Lemichez et al.   Cell Host & Microbe

Protein-Carbohydrate Interactions Studied by NMR: From Molecular Recognition to Drug Design

(2013) Maria del Carmen Fernandez-Alonso et al.   CURRENT PROTEIN & PEPTIDE SCIENCE

The incubation period of cholera: A systematic review

(2012) Andrew S. Azman et al.   JOURNAL OF INFECTION

How Does a Drug Molecule Find Its Target Binding Site?

(2011) Yibing Shan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Homology modelling and molecular dynamics simulations of wild type and mutated flavodoxins fromDesulfovibrio vulgaris(Miyazaki F): insight into FMN–apoprotein interactions

(2011) Kiattisak Lugsanangarm et al.   MOLECULAR SIMULATION

Drug-like Bioactive Structures and Conformational Coverage with the LigPrep/ConfGen Suite: Comparison to Programs MOE and Catalyst

(2010) I-Jen Chen et al.   Journal of Chemical Information and Modeling

Molecular dynamics studies of the 3D structure and planar ligand binding of a quadruplex dimer

(2010) Ming-Hui Li et al.   JOURNAL OF MOLECULAR MODELING

Crystal structure of cholera toxin B-pentamer bound to receptor GM1 pentasaccharide

(2010) Ethan A. Merritt et al.   PROTEIN SCIENCE

Kinetics, in silico docking, molecular dynamics, and MM-GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP-binding site inhibitors: The role of water molecules examined

(2010) Joseph M. Hayes et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Assessing Side-Chain Perturbations of the Protein Backbone: A Knowledge-Based Classification of Residue Ramachandran Space

(2008) David B. Dahl et al.   JOURNAL OF MOLECULAR BIOLOGY