https://westpa.github.io Open-source, highly scalable software for running weighted ensemble simulations with any dynamics engine, including MD (e.g., Amber, OpenMM) and systems biology engines (BioNetGen). We are part of the @omsf.bsky.social consortium.https://bsky.app/profile/westpasoftware.bsky.socialhttps://bsky.app/profile/westpasoftware.bsky.social/post/3m7qcwxdisk2jFantastic work by @darianyang.bsky.social, @ltchong.bsky.social, and Angela Gronenborn! 19F NMR and WESTPA simulations show how the HIV-1 capsid protein transitions to an elusive, alternate structure. [contains quote post or other embedded content]11 Dec 2025 19:33 +0000at://did:plc:xdeku6xp6gf2aabe5tm2n6xb/app.bsky.feed.post/3m7qcwxdisk2jhttps://bsky.app/profile/westpasoftware.bsky.social/post/3m7pwvxj3tc2bWESTPA fans: two new JCTC papers just landed! Great work from Michael Grabe and JC Gumbart. 👇11 Dec 2025 15:58 +0000at://did:plc:xdeku6xp6gf2aabe5tm2n6xb/app.bsky.feed.post/3m7pwvxj3tc2bhttps://bsky.app/profile/westpasoftware.bsky.social/post/3m5jmq7xlok2bExcellent work, @jrowe2000.bsky.social! [contains quote post or other embedded content]13 Nov 2025 16:50 +0000at://did:plc:xdeku6xp6gf2aabe5tm2n6xb/app.bsky.feed.post/3m5jmq7xlok2bhttps://bsky.app/profile/westpasoftware.bsky.social/post/3m5jlhnz27k2wNice work from @justinlemkulvt.bsky.social on the use of the CHARMM Drude polarizable force field with @westpasoftware.bsky.social! https://onlinelibrary.wiley.com/doi/10.1002/jcc.7026413 Nov 2025 16:27 +0000at://did:plc:xdeku6xp6gf2aabe5tm2n6xb/app.bsky.feed.post/3m5jlhnz27k2w