Computational pharmacologist building thermodynamically honest docking for real-world drug discovery. Main author of FlexAIDΔS − a genetic-algorithm docking engine that scores the full ΔG = ΔH − TΔS, conformational entropy included, recovering the correct binding mode where enthalpy-only scorers fail. High-throughput, GPU-accelerated, reproducible by construction (Apache 2.0). Montréal.
// open-source software
FlexAIDΔSC++26 · Python · PyMOL
Entropy-driven molecular docking engine.
ShannonC++20 · Python
Entropy-collapse detector for frontier LLM agents − zero-shot evaluation-awareness and strategic-deception monitoring via the same H = −Σ pi log2 pi kernel that scores FlexAIDΔS binding.
ClusterFuckSwift · HealthKit · CareKit
Multi-platform Apple biofeedback (Watch · iPhone · TV · Vision Pro).
NRGsuitePython · PyMOL
PyMOL plugin packaging the Najmanovich Research Group docking toolchain for real-time interactive docking with FlexAID.
Main author of FlexAIDΔS: a C++26 genetic-algorithm docking engine with a full statistical-mechanics score (ΔG = ΔH − TΔS), torsional ENCoM entropy, Voronoi contact function and dead-end-elimination torsion pruning.
Lead programmer2014 − present
Najmanovich Research Group
Principal software architect for the lab − own the NRG docking toolchain end to end across its Sherbrooke and Montréal eras.
Founder − Programmer − Research Scientist2023 − present
Le Bonhomme Pharma · github.com/LeBonhommePharma
Open-science pharmacology lab shipping reproducible Apache-2.0 tooling from Little Burgundy, Montréal.
// validation
Astex Diverse 85 self- and cross-docking, no crystal coordinates supplied; top pose scored by RMSD and physical plausibility. Campaign in progress − measured results at thebonhomme.com/benchmark/.
// education
Ph.D. − Pharmacology
Université de Montréal · Najmanovich Research Group
in progress
M.Sc. − Biochemistry
Université de Sherbrooke · Najmanovich Research Group
conferred
B.Sc. − Structural Bioinformatics
Université Laval
conferred
// skills
Languages
C++26C++20PythonSwiftCMake
Domains
Molecular dockingStatistical mechanicsFree-energy scoringShannon entropyHRV signal processing
Tools
PyMOLOpenMPCUDA/GPUGitHealthKit
// selected publications & awards
Gaudreault F, Morency L-P, Najmanovich RJ. NRGsuite: a PyMOL plugin for docking with FlexAID. Bioinformatics 31, 3856–3858 (2015).
Morency L-P, Gaudreault F, Najmanovich RJ. Applications of the NRGsuite and FlexAID in computational drug discovery. Methods Mol. Biol. (2018).
Médaille du Lieutenant-Gouverneur du Québec (bronze) · Cabinet du Lieutenant-gouverneur du Québec.
FRQ-NT doctoral research fellowship · Fonds de recherche du Québec − Nature et technologies.