Successful prediction of the intra- and extracellular loops of four G-protein-coupled receptors Posted on September 8, 2015December 13, 2024 by Anonymous
AMBER force field implementation of the boronate function to simulate the inhibition of beta-lactamases by alkyl and aryl boronic acids Posted on September 8, 2015December 13, 2024 by Anonymous
Structure-based design of novel boronic acid-based inhibitors of autotaxin Posted on September 8, 2015December 13, 2024 by Anonymous
Evaluation of Computational Chemistry Methods: Crystallographic and Cheminformatics Analysis of Aminothiazole Methoximes Posted on September 8, 2015December 13, 2024 by Anonymous
Insights into the different dioxygen activation pathways of methane and toluene monooxygenase hydroxylases Posted on September 8, 2015December 13, 2024 by Anonymous
Towards the design of host-guest complexes: biotin and urea derivatives versus artificial receptors Posted on September 8, 2015December 13, 2024 by Anonymous
Thermodynamic and kinetic stability of synthetic multifunctional rigid-rod beta-barrel pores: Evidence for supramolecular catalysis Posted on September 8, 2015December 13, 2024 by Anonymous
Global and local computational models for aqueous solubility prediction of drug-like molecules Posted on September 8, 2015December 13, 2024 by Anonymous
Novel Bicyclic Sugar Modified Nucleosides: Synthesis, Conformational Analysis and Antiviral Evaluation Posted on September 8, 2015December 13, 2024 by Anonymous
Water in the active site of ketosteroid isomerase Posted on September 8, 2015December 13, 2024 by Anonymous
Biological and Conformational Study of Beta-Substituted Prolines in MT-II Template: Steric Effects Leading to Human MC5 Receptor Selectivity Posted on September 8, 2015December 13, 2024 by Anonymous
Systematic investigation of the catalytic cycle of a single site ruthenium oxygen evolving complex using density functional theory Posted on September 8, 2015December 13, 2024 by Anonymous