Correction: Effective in silico prediction of new oxazolidinone antibiotics: force field simulations of the antibiotic–ribosome complex supervised by experiment and electronic structure methods

• Jörg Grunenberg and
• Giuseppe Licari

Beilstein J. Org. Chem. 2016, 12, 608–610, doi:10.3762/bjoc.12.59

• Jorg Grunenberg Giuseppe Licari Institut für Organische Chemie, Hagenring 30, TU-Braunschweig, 38106 Braunschweig, Germany Physical Chemistry Department, Sciences II, University of Geneva, 30, Quai Ernest Ansermet, CH-1211 Geneva 4, Switzerland 10.3762/bjoc.12.59 Keywords: compliance constants

Effective in silico prediction of new oxazolidinone antibiotics: force field simulations of the antibiotic–ribosome complex supervised by experiment and electronic structure methods

• Jörg Grunenberg and
• Giuseppe Licari

Beilstein J. Org. Chem. 2016, 12, 415–428, doi:10.3762/bjoc.12.45

• , followed by an evaluation of their enthalpic penalties or rewards and the mechanical strengths of the relevant hydrogen bonds (relaxed force constants; compliance constants). The protocol was able to reproduce the experimentally known enantioselectivity favoring the S-enantiomer. In a second step, the

• : compliance constants; computational chemistry; drug design; molecular recognition; relaxed force constants; Introduction Antibiotic resistance is one of the major health problems in modern societies, causing millions of deaths per year [1][2][3]. Although Alexander Fleming recognized the importance of the

• linezolid and 4) the existence and strength of the pivotal hydrogen bond between linezolid’s side chain and the ribosome calculated by means of our proposed compliance constants protocol. The proposed strategy might lead to a robust discrimination between effective and ineffective linezolid-like drug