Kirill Konovalov

6PUBLICATIONS
33CO-AUTHORS
Predictive and prognostic markersBiomolecular modelling and designStructure and dynamics of materialsMolecular targetsChemical and thermal processes in energy and combustion
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Publications (6)

|Oct 01, 2026
Transition Intermediates Encode Ligand Efficacy at the μ-Opioid Receptor-Gi Protein Complex.

|May 04, 2026
Structural and dynamic studies uncover a distinct allosteric modulatory site at the µ-opioid receptor.

|Aug 13, 2025
BOLD-GPCRs: A Transformer-Powered App for Predicting Ligand Bioactivity and Mutational Effects Across Class A GPCRs.

Davide Provasi, Kirill Konovalov, Nicholas Riina

|Sep 01, 2023
GraphVAMPnets for uncovering slow collective variables of self-assembly dynamics.

Bojun Liu, Mingyi Xue, Yunrui Qiu

|Jun 01, 2023
Disease mutations and phosphorylation alter the allosteric pathways involved in autoinhibition of protein phosphatase 2A.

Kirill A Konovalov, Cheng-Guo Wu, Yunrui Qiu

|Aug 30, 2020
Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.

Yuliana A Mokrushina, Andrey V Golovin, Ivan V Smirnov

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Frequent Collaborators

3 joint publications

Davide Provasi

3 joint publications

Marta Filizola

2 joint publications

Xuhui Huang

2 joint publications

Michael S O'Connor