Parmbsc1: a refined force field for dna simulations

We present parmbsc1, a force field for dna atomistic simulation, which has been parameterized from high-level quantum mechanical data and tested for nearly 100 systems (representing a total simulation time of ~140 ms) covering most of dna structural space. Parmbsc1 provides high-quality results in diverse systems.

Ivan II, Dans PD, Noy A, Perez A, Faustino I, Hopsital A, Walther J, Andrio P, Goni R, Balaceanu A, Portella G, Battistini F, Gelpi JL, Gomez-Pinto I, Gonzalez C, Vendruscolo M, Laughton CA, Harris SA, Case, Orozco M. “Parmbsc1: a refined force-field for DNA simulations” Nature Methods, (2016), 13, 55. DOI:10.1038/nmeth.3658

Leave a Reply

Fill in your details below or click an icon to log in: Logo

You are commenting using your account. Log Out /  Change )

Google photo

You are commenting using your Google account. Log Out /  Change )

Twitter picture

You are commenting using your Twitter account. Log Out /  Change )

Facebook photo

You are commenting using your Facebook account. Log Out /  Change )

Connecting to %s