Disclaimer: All these scripts were written by Emil Åberg Imagine you have multiple folders with rec.pdbqt and rec.pdb files and have a folder with all the ligands with .pdbqt files. Imagine now […]
Disclaimer: This blog is made public in order to inspire a new generation of enthusiastic people to start working on this neglected disease as soon as possible. I was doing some side-project […]
Our latest review deals with computational study on “Flap dynamics” across proteases has been accepted in Chemical Biology & Drug Design.
One of our long standing dream to use drug re-purpose or repositioning strategy on neglected tropical diseases such as Dengue or CHIKV was finally successful with the publication of the latest article […]
One of the first paper which described the effect of T68A/N126Y double mutations got accepted recently in Molecular Biosystems. The paper entitled “Effect of T68A/N126Y mutations on conformational and ligand binding landscape […]
Our new review which just got published with Chemical Biology and Drug Design (Impact factor: 2.5) highlights an updated account of computational works on Hsp90 and future prospective.
One of our new review entitled “Chikungunya Virus (CHIKV) Inhibitors from Natural Sources: A Medicinal Chemistry Perspective“ accepted recently in Journal of Natural Medicines (Impact factor: 1.447). This review highlights all current […]
Our new review on current progress current progress in structural biology & medicinal chemistry of Plasmepsin-II and its inhibitors has been accepted in European Journal of Medicinal Chemistry (Impact Factor: 3.43). The […]
One of our new manuscript which deals with effect of PR20 mutations on flap movement as well as conformational dynamics of apo and bound conformations of HIV-1 Protease is accepted in Journal […]
Our new article entitled “Single Active Site Mutation Causes Serious Resistance of HIV Reverse Transcriptase to Lamivudine: Insight from Multiple Molecular Dynamics Simulations” accepted recently in Cell Biochemistry and Biophysics which unveils […]