Case studies

From fragment to candidate, in the real world.

A look at how Conifer Point's computational methods — and BMaps — move programs forward across kinases, protein design, and challenging disease targets.

Kinase inhibitors

Structure-biased SIK inhibitor optimization

Three fast rounds of information — structure-biased virtual screening, analog-by-catalog search, and med-chem — advanced an original library hit into a potent, selective SIK series. Published in PNAS (2022).

44 µM → 0.41 nM
SIK2 IC₅₀ improvement
3
design cycles
110k
compound screening library
Protein design

Peptide–protein affinity maturation

Using ProteinMPNN with interaction conservation between cycles, we improved a designed binder's predicted affinity across three iterations — retaining the residues responsible for key interactions.

−116.9 → −173.8
MM-GBSA (kcal/mol)
35
structures docked & scored
3
iterative cycles
BMaps benchmarking

Water maps at commercial accuracy, lower cost

Benchmarking showed BMaps water maps are comparably accurate to commercial software while being delivered through an interactive, web-based platform at lower cost — the best water maps broadly available at scale.

Web
fully browser-based
500+
proteins pre-mapped
QM
interaction energies
Infectious disease

Natural-product hit ID across six targets

Engaged on a Gates Foundation (BMGF) grant, Conifer Point applied fragment mapping and virtual screening to natural-product hit identification across six infectious-disease targets — part of broad work spanning HBV, TB, malaria, and SARS-CoV-2.

6
disease targets
BMGF
grant-funded program
HBV·TB
+ malaria, SARS-CoV-2
Validated breadth

A wide diversity of targets, modeled

Browse the target classes and disease areas our fragment-based platform has modeled — from kinases and ion channels to pathogen proteins across HIV, malaria, and SARS-CoV-2.

Novel compound confirmed experimentally
Your target next

Could your program move faster?

Tell us about your target and we'll show you where the fragments bind.