Andrei Demkiv

Redefining the Limits of Functional Continuity in the Early Evolution of P-Loop NTPases

Demkiv, Andrey O.; Toledo-Patiño, Saacnicteh; Carmona, Encarni Medina; Berg, Andrej et al.

Part of Molecular biology and evolution, 2025

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Catalytic Redundancies and Conformational Plasticity Drives Selectivity and Promiscuity in Quorum Quenching Lactonases

Corbella Morató, Marina; Bravo, Joe; Demkiv, Andrey O.; Calixto, Ana R. et al.

Part of JACS Au, p. 3519-3536, 2024

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Computational Modelling of Protein Dynamics, Specificity and Evolution

Demkiv, Andrey O.

2024

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Q-RepEx: A Python pipeline to increase the sampling of empirical valence bond simulations

Brickel, Sebastian; Demkiv, Andrey O.; Crean, Rory M.; Pinto, Gaspar P. et al.

Part of Journal of Molecular Graphics and Modelling, 2023

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Exploiting enzyme evolution for computational protein design

Pinto, Gaspar P.; Corbella Morató, Marina; Demkiv, Andrey O.; Kamerlin, Shina C. Lynn

Part of TIBS -Trends in Biochemical Sciences. Regular ed., p. 375-389, 2022

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Redefining the Limits of Functional Continuity in the Early Evolution of P-Loop NTPases

Demkiv, Andrey O.; Toledo-Patiño, Saacnicteh; Carmona, Encarni Medina; Berg, Andrej et al.

Part of Molecular biology and evolution, 2025

• DOI for Redefining the Limits of Functional Continuity in the Early Evolution of P-Loop NTPases
• Download full text (pdf) of Redefining the Limits of Functional Continuity in the Early Evolution of P-Loop NTPases

Catalytic Redundancies and Conformational Plasticity Drives Selectivity and Promiscuity in Quorum Quenching Lactonases

Corbella Morató, Marina; Bravo, Joe; Demkiv, Andrey O.; Calixto, Ana R. et al.

Part of JACS Au, p. 3519-3536, 2024

• DOI for Catalytic Redundancies and Conformational Plasticity Drives Selectivity and Promiscuity in Quorum Quenching Lactonases
• Download full text (pdf) of Catalytic Redundancies and Conformational Plasticity Drives Selectivity and Promiscuity in Quorum Quenching Lactonases

Q-RepEx: A Python pipeline to increase the sampling of empirical valence bond simulations

Brickel, Sebastian; Demkiv, Andrey O.; Crean, Rory M.; Pinto, Gaspar P. et al.

Part of Journal of Molecular Graphics and Modelling, 2023

• DOI for Q-RepEx: A Python pipeline to increase the sampling of empirical valence bond simulations
• Download full text (pdf) of Q-RepEx: A Python pipeline to increase the sampling of empirical valence bond simulations

Exploiting enzyme evolution for computational protein design

Pinto, Gaspar P.; Corbella Morató, Marina; Demkiv, Andrey O.; Kamerlin, Shina C. Lynn

Part of TIBS -Trends in Biochemical Sciences. Regular ed., p. 375-389, 2022

• DOI for Exploiting enzyme evolution for computational protein design
• Download full text (pdf) of Exploiting enzyme evolution for computational protein design

Computational Modelling of Protein Dynamics, Specificity and Evolution

Demkiv, Andrey O.

2024

• Download full text (pdf) of Computational Modelling of Protein Dynamics, Specificity and Evolution