All Stories

  1. DFT and Molecular Dynamics Simulation Studies of 4-(2-(2-(2- Chloroacetamido)phenoxy)acetamido)-3-Nitrobenzoic Acid and 4-(2- (Benzo[D]thiazol-2-ylthio)acetamido)-3-Nitrobenzoic Acid against Escherichia coli ParE Enzyme
  2. Synthesis, molecular docking, binding free energy calculation and molecular dynamics simulation studies of benzothiazol-2-ylcarbamodithioates as Staphylococcus aureus MurD inhibitors
  3. An explorative study on Staphylococcus aureus MurE inhibitor: induced fit docking, binding free energy calculation, and molecular dynamics
  4. Combining molecular docking and molecular dynamics studies for modelling Staphylococcus aureus MurD inhibitory activity
  5. Correction to: Inhibitors of alanine racemase enzyme: a review
  6. Induced fit docking, free energy calculation and molecular dynamics studies on Mycobacterium tuberculosis alanine racemase inhibitor
  7. Insight into the structural requirements of thiophene-3-carbonitriles-based MurF inhibitors by 3D-QSAR, molecular docking and molecular dynamics study
  8. Synthesis and Biological Activities of 2-Substituted Benzimidazole-Metal Complexes