Tags » Molecular Dynamics

install gromacs 5.0.2 and fftw 3.3.4

assalamu’alaikum warahmatullahi wabarakatuh..

kali ini kita akan mencoba menginstall gromacs 5.0.2 dengan fftw 3.3.4. pertama-tama download dulu fftw 3.3.4, kemudian dikompilasi seperti biasa dengan opsi –enable-shared –enable-float . 81 more words

Kimia Komputasi

New manuscript accepted in Journal of Biomolecular Structure & Dynamics

One of our new manuscript which deals with effect of PR20 mutations on flap movement as well as conformational dynamics of apo and bound 22 more words

Our paper on Plasmepsin

One of our recent paper entitled “Flap Dynamics of Plasmepsin Proteases: Proposed Parameters and Molecular Dynamics Insight” is published recently in Molecular Biosystems. 26 more words

No conservation of protein dynamics in enzyme evolution

Today’s #365papers is about the topics of protein dynamics, their role in enzymes and some insights into their role in evolution.

Maintenance of Native-like Protein Dynamics May Not Be… 228 more words
Postprint

[#2015PostPubRev] QM/MM analysis shows correlation between promiscuity and flexibility

To kick off my 2015 resolution, here’s a paper that uses molecular modelling to correlate the observed promiscuity profile of o-Succinylbenzoate Synthase with the involvement of alternative amino acids within the same active site. 144 more words

Review