Publications & scientific impact

Methods proven in the literature.

Our fragment-based and hot-spot mapping methods are documented in peer-reviewed journals — from the foundations of chemical-potential simulation to the BMaps platform itself.

50+
peer-reviewed publications
40+
issued patents across the team
100k+
fragment maps computed
500+
therapeutic targets mapped
Some of our papers

Peer-reviewed work.

2023

BMaps: A web application for fragment-based drug design and compound binding evaluation

Bryan et al. · 63(14), 4229–4236

J. Chem. Inf. Model.
2020

Profiling the circulating mRNA transcriptome in human liver disease

Sayeed et al. · 11(23), 2216–2232

Oncotarget
2017

Hot-spot identification on a broad class of proteins and RNA suggest unifying principles of molecular recognition

Kulp JL III, Cloudsdale IS, Kulp JL Jr, Guarnieri F · 12(8), e0183327

PLOS ONE
2016

Synthesis and evaluation of orally active small molecule HIV-1 Nef antagonists

Emert-Sedlak et al. · 26(5), 1480–1484

Bioorg. Med. Chem. Lett.
2012

A fragment-based approach to the SAMPL3 Challenge

Kulp et al. · 26(5), 583–594

J. Comput. Aided Mol. Des.
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