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References from Molecular Dynamics Simulation of Atomic Interactions in the Vancomycin Binding Site. Local targets link to admitted publications; unresolved targets remain external evidence.
Vancomycin, a new antibiotic. I. Chemical and biologic properties
1955 · External reference
Unresolved reference
1994 · External reference
Synthesis and biological evaluation of vancomycin dimers with potent activity against vancomycin-resistant bacteria: target-accelerated combinatorial synthesis
10.1002/1521-3765(20010903)7:17<3824::aid-chem3824>3.0.co;2-1 · 2001 · External reference
Formation of the glycan chains in the synthesis of bacterial peptidoglycan
10.1093/glycob/11.3.25r · 2001 · External reference
Rotational-echo double resonance characterization of the effects of vancomycin on cell wall synthesis in Staphylococcus aureus
10.1021/bi0202326 · 2002 · External reference
Targeting a cell wall biosynthesis hot spot
10.1039/c7np00012j · 2017 · External reference
Structure of vancomycin and its complex with acetyl-D-alanyl-D-alanine
10.1038/271223a0 · 1978 · External reference
Crystal structure of vancomycin
10.1016/s0969-2126(96)00156-6 · 1996 · External reference
Plasmid-mediated resistance to vancomycin and teicoplanin in Enterococcus faecium
10.1056/nejm198807213190307 · 1988 · External reference
Identification of vancomycin resistance protein VanA as a D-alanine:D-alanine ligase of altered substrate specificity
10.1021/bi00222a002 · 1991 · External reference
Molecular basis for vancomycin resistance in Enterococcus faecium BM4147: biosynthesis of a depsipeptide peptidoglycan precursor by vancomycin resistance proteins VanH and VanA
10.1021/bi00107a007 · 1991 · External reference
Mechanisms and implications of glycopeptide resistance in enterococci
10.1016/0002-9343(91)90348-2 · 1991 · External reference
Evidence for in vivo incorporation of D-lactate into peptidoglycan precursors of vancomycin-resistant enterococci
10.1128/aac.36.4.867 · 1992 · External reference
Infection with vancomycin-resistant Staphylococcus aureus containing the vanA resistance gene
10.1056/nejmoa025025 · 2003 · External reference
Synergism between beta-lactams and glycopeptides against VanA-type methicillin-resistant Staphylococcus aureus and heterologous expression of the vanA operon
10.1128/aac.00410-06 · 2006 · External reference
Structure-activity relationships in the series of eremomycin carboxamides
10.7164/antibiotics.53.286 · 2000 · External reference
The role of hydrophobic side chains as determinants of antibacterial activity of semisynthetic glycopeptide antibiotics
10.7164/antibiotics.50.677 · 1997 · External reference
Partitioning the loss in vancomycin binding affinity for D-Ala-D-Lac into lost H-bond and repulsive lone pair contributions
10.1021/ja035901x · 2003 · External reference
Chemical modification of antibiotic eremomycin at the asparagine side chain
10.7164/antibiotics.52.319 · 1999 · External reference
Glycopeptide antibiotics: back to the future
10.1038/ja.2014.111 · 2014 · External reference
Reductive alkylation of glycopeptide antibiotics: synthesis and antibacterial activity
10.7164/antibiotics.49.575 · 1996 · External reference
Comparative activity of oritavancin against meticillin-resistant Staphylococcus aureus (MRSA) bloodstream isolates from Geneva University Hospital
10.1016/j.ijantimicag.2009.07.016 · 2009 · External reference
Comparative in vitro activity of oritavancin and other agents against vancomycin-susceptible and -resistant enterococci
10.1093/jac/dkw451 · 2017 · External reference
Time-kill kinetics of oritavancin and comparator agents against Staphylococcus aureus, Enterococcus faecalis and Enterococcus faecium
10.1093/jac/dkp126 · 2009 · External reference
Desleucyl-Oritavancin with a Damaged d-Ala-d-Ala Binding Site Inhibits the Transpeptidation Step of Cell-Wall Biosynthesis in Whole Cells of Staphylococcus aureus
10.1021/acs.biochem.6b01125 · 2017 · External reference
Hidden mode of action of glycopeptide antibiotics: inhibition of wall teichoic acid biosynthesis
10.1021/acs.jpcb.7b00324 · 2017 · External reference
Inhibition of Staphylococcus aureus cell wall biosynthesis by desleucyl-oritavancin: a quantitative peptidoglycan composition analysis by mass spectrometry
10.1128/jb.00278-17 · 2017 · External reference
Oritavancin exhibits dual mode of action to inhibit cell-wall biosynthesis in Staphylococcus aureus
10.1016/j.jmb.2008.01.031 · 2008 · External reference
Vancomycin and oritavancin have different modes of action in Enterococcus faecium
10.1016/j.jmb.2009.06.064 · 2009 · External reference
Redesign of glycopeptide antibiotics: back to the future
10.1021/cb300007j · 2012 · External reference
Total synthesis of [Ψ[C(═S)NH]Tpg4]vancomycin aglycon, [Ψ [C(═NH)NH]Tpg4]vancomycin aglycon, and related key compounds: reengineering vancomycin for dual D-Ala-D-Ala and D-Ala-D-Lac binding
10.1021/ja209937s · 2012 · External reference
A redesigned vancomycin engineered for dual D-Ala-D-ala And D-Ala-D-Lac binding exhibits potent antimicrobial activity against vancomycin-resistant bacteria
10.1021/ja207142h · 2011 · External reference
Insights into Key Interactions between Vancomycin and Bacterial Cell Wall Structures
10.1021/acsomega.7b01483 · 2018 · External reference
Structure-activity relationships of vancomycin-type glycopeptide antibiotics
10.7164/antibiotics.46.1181 · 1993 · External reference
The Vancomycin Group of Antibiotics and the Fight against Resistant Bacteria
10.1002/(sici)1521-3773(19990503)38:9<1172::aid-anie1172>3.0.co;2-c · 1999 · External reference
Assessing the performance of the MM/PBSA and MM/GBSA methods. 1. The accuracy of binding free energy calculations based on molecular dynamics simulations
10.1021/ci100275a · 2011 · External reference
Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent model
10.1006/jmbi.2000.4057 · 2000 · External reference
Crystal structures of the complexes between vancomycin and cell-wall precursor analogs
10.1016/j.jmb.2008.10.026 · 2009 · External reference
Unresolved reference
External reference
CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate-protein modeling
10.1021/ct200328p · 2011 · External reference
Automation of the CHARMM General Force Field (CGenFF) II: assignment of bonded parameters and partial atomic charges
10.1021/ci3003649 · 2012 · External reference
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
10.1021/ct700301q · 2008 · External reference
P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation
10.1021/ct700200b · 2008 · External reference
REDOR constraints on the peptidoglycan lattice architecture of Staphylococcus aureus and its FemA mutant
10.1016/j.bbamem.2014.05.025 · 2015 · External reference
g_mmpbsa--a GROMACS tool for high-throughput MM-PBSA calculations
10.1021/ci500020m · 2014 · External reference
Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models
10.1021/ar000033j · 2000 · External reference
