Robert J. Sawyer is pretty good at SF+mysteries. He's won both science fiction and mystery awards for several of his books and stories. You can read 2 of his dual-award-winning novellas
free online at his website,
Identity Theft, and
The Hand You're Dealt, which are both murder mysteries set in future colonies.
My personal favourite is
Golden Fleece (exploration expedition + locked room murder mystery), though there's also
Illegal Alien (first contact + legal thriller),
The Terminal Experiment (AI + serial killer procedural),
Frameshift (genetics research + fugitive hunt). He's also got the Quintaglio Ascension Trilogy, which aren't mystery (mostly), but Dinosaurs Discovering Science IN SPAAACE!!!!! with Galileo, Darwin, and Freudian analogues.
Brian Stableford's done some very good genetic engineering + murder mystery works, though they tend to read better in the original novella format (usually reprinted in those Dozois-edited
Year's Best Science Fiction collections) than the expanded novel editions.
Architects of Emortality (expanded from
Les Fleurs du Mal) blends post-apocalyptic future society with 19th century Victorian literature and cop/civilian team-up.
The Cassandra Complex (expanded from
The Silver Bullet) is a biotech absconding-with-important-medical-research thriller.
Nancy Kress, who's won Hugo and Nebula awards, also did a few biotech thrillers, two in a series with the same detective,
Stinger and
Oaths and Miracles, set modern-day/near-future with significant genetic-engineering advances that people would kill for, and
Maximum Light, set in a future where human fertility has taken a drastic decline for unknown reasons.
Lois McMaster Bujold's
A Civil Campaign, in the Vorkosigan Saga, is SF+comedy of manners (MilSF space opera + Heyer-esque Regency romance, specifically), as is Connie Willis'
To Say Nothing of the Dog (time travel + comedy of errors). Bujold's
Memory,
Cetaganda, and
Diplomatic Immunity are also excellent SF+mystery, while
Komarr and
Winterfair Gifts are SF+mystery+romance.
And finally, Charles Stross' Laundry series is really vaguely sf-ish in terms of all the "magic" having a mathematical/quantum mechanical basis, but they're excellent Lovecraftian horror + Cold War spy thriller + office bureaucracy stories and well worth reading if you think you might be inclined.