Rowan

@RowanSci • 2,344 subscribers

molecular design and simulation tools for scientists. (also see our literature-posting account @RowanReads.) (cover image from @owl_posting)

Shorts

Thomas Froitzheim and Stefan Grimme (Rheinische Friedrich-Wilhelms-Universität Bonn) just released a new version of g-xTB, their semiempirical tight-binding method. The new release adds support for analytical gradients, making it possible to run optimizations, TS optimizations, frequencies, scans, and more!

Thomas Froitzheim and Stefan Grimme (Rheinische Friedrich-Wilhelms-Universität Bonn) just released a new version of g-xTB, their semiempirical tight-binding method. The new release adds support for analytical gradients, making it possible to run optimizations, TS optimizations, frequencies, scans, and more!

10,515 Aufrufe

Videos

Anya Rossi

sweetdream.ai

SweetDream.ai•Sponsored•Livecam

Watch Anya Live

Anya is streaming live right now! Join her private show and enjoy exclusive content.

Exclusive private shows

1.2k viewers online

Private Show

Join now for exclusive access

Free preview available • Premium content

We've just released a new video tutorial on how to run protein–ligand docking (one of our most popular workflows). Here's some highlights:

We've just released a new video tutorial on how to run protein–ligand docking (one of our most popular workflows). Here's some highlights:

11,300 Aufrufe • vor 4 Monaten

Running solubility predictions couldn't be easier! With Rowan's latest release, you can go from drawing a molecule to viewing predicted temperature- and solvent-dependent solubility in <2 minutes. (Video sped up 2x because we respect your time)

Running solubility predictions couldn't be easier! With Rowan's latest release, you can go from drawing a molecule to viewing predicted temperature- and solvent-dependent solubility in <2 minutes. (Video sped up 2x because we respect your time)

12,510 Aufrufe • vor 1 Jahr

Keine weiteren Inhalte verfügbar