Copyright 2004 Elsevier B.V., All rights reserved.The adverse cost in free energy of restricting an internal bond rotation in the binding of the peptide ligands N-succinyl-D-alanine and N-fumaryl-D-alanine to the antibiotic Ristocetin A, has been estimated to be 3.7 ± 0.9 kJ mol per rotor by comparison of the difference in free energies of binding measured by UV spectrometry.Peer reviewe
Hypothetical scanning molecular dynamics (HSMD) is a relatively new method for calculating the absol...
Drugs with desired kinetic properties have better efficacy. Non-covalent small molecule drugs can bi...
Antimicrobial peptides (AMPs) are a promising alternative to antibiotics for mitigating bacterial in...
Copyright 2005 Elsevier B.V., All rights reserved.Modified cell-wall peptides have been rationally d...
The thermodynamics of dissociation of vancomycin and ristocetin dimers in the presence and absence o...
A substantial challenge in ligand design for protein-ligand interactions is the accurate prediction ...
The thermodynamics of dissociation of vancomycin and ristocetin dimers in the presence and absence o...
<p>The computational modeling of peptide inhibitors to target protein-protein binding interfaces is ...
How a mutation affects the binding free energy of a ligand is a fundamental problem in molecular bio...
AbstractMolecular dynamics simulations and free energy calculations have been used to examine in det...
ABSTRACT: A coherent framework is presented for determing the free energy change accompanying ligand...
We report a method based on electrospray ionization (ESI) mass spectrometry to determine solution as...
Antimicrobial peptides (AMPs) are a promising alternative to antibiotics for mitigating bacterial in...
AbstractBackground: Recent work has indicated that dimerization is important in the mode of action o...
Thermodynamic aspects of the molecular recognition between the antibiotics vancomycin and ristocetin...
Hypothetical scanning molecular dynamics (HSMD) is a relatively new method for calculating the absol...
Drugs with desired kinetic properties have better efficacy. Non-covalent small molecule drugs can bi...
Antimicrobial peptides (AMPs) are a promising alternative to antibiotics for mitigating bacterial in...
Copyright 2005 Elsevier B.V., All rights reserved.Modified cell-wall peptides have been rationally d...
The thermodynamics of dissociation of vancomycin and ristocetin dimers in the presence and absence o...
A substantial challenge in ligand design for protein-ligand interactions is the accurate prediction ...
The thermodynamics of dissociation of vancomycin and ristocetin dimers in the presence and absence o...
<p>The computational modeling of peptide inhibitors to target protein-protein binding interfaces is ...
How a mutation affects the binding free energy of a ligand is a fundamental problem in molecular bio...
AbstractMolecular dynamics simulations and free energy calculations have been used to examine in det...
ABSTRACT: A coherent framework is presented for determing the free energy change accompanying ligand...
We report a method based on electrospray ionization (ESI) mass spectrometry to determine solution as...
Antimicrobial peptides (AMPs) are a promising alternative to antibiotics for mitigating bacterial in...
AbstractBackground: Recent work has indicated that dimerization is important in the mode of action o...
Thermodynamic aspects of the molecular recognition between the antibiotics vancomycin and ristocetin...
Hypothetical scanning molecular dynamics (HSMD) is a relatively new method for calculating the absol...
Drugs with desired kinetic properties have better efficacy. Non-covalent small molecule drugs can bi...
Antimicrobial peptides (AMPs) are a promising alternative to antibiotics for mitigating bacterial in...