[HTML][HTML] Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants from τRAMD simulations

A Nunes-Alves, DB Kokh, RC Wade - Current Research in Structural …, 2021 - Elsevier
The protein-ligand residence time, τ, influences molecular function in biological networks
and has been recognized as an important determinant of drug efficacy. To predict τ …

Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants from tauRAMD simulations

A Nunes-Alves, DB Kokh, RC Wade - arXiv e-prints, 2020 - ui.adsabs.harvard.edu
The protein-ligand residence time, tau, influences molecular function in biological networks
and has been recognized as an important determinant of drug efficacy. To predict tau …

[HTML][HTML] Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants from τRAMD simulations

A Nunes-Alves, DB Kokh, RC Wade - Current Research in …, 2021 - ncbi.nlm.nih.gov
The protein-ligand residence time, τ, influences molecular function in biological networks
and has been recognized as an important determinant of drug efficacy. To predict τ …

Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants from τRAMD simulations

A Nunes-Alves, DB Kokh, RC Wade - 2021 - agris.fao.org
The protein-ligand residence time, τ, influences molecular function in biological networks
and has been recognized as an important determinant of drug efficacy. To predict τ …

Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants from τRAMD simulations.

A Nunes-Alves, DB Kokh, RC Wade - Current Research in Structural …, 2021 - europepmc.org
The protein-ligand residence time, τ, influences molecular function in biological networks
and has been recognized as an important determinant of drug efficacy. To predict τ …

Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants from tauRAMD simulations

A Nunes-Alves, DB Kokh, RC Wade - arXiv preprint arXiv:2010.08763, 2020 - arxiv.org
The protein-ligand residence time, tau, influences molecular function in biological networks
and has been recognized as an important determinant of drug efficacy. To predict tau …

Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants from τRAMD simulations

A Nunes-Alves, DB Kokh… - Current research in …, 2021 - pubmed.ncbi.nlm.nih.gov
The protein-ligand residence time, τ, influences molecular function in biological networks
and has been recognized as an important determinant of drug efficacy. To predict τ …