Lista de obras - Yu Takano - Dominio Público Uruguay

Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.

artículo científico publicado en 2017

Common folding processes of mini-proteins: Partial formations of secondary structures initiate the immediate protein folding.

artículo científico publicado en 2017

Computational Study on Atomic Structures, Electronic Properties, and Chemical Reactions at Surfaces and Interfaces and in Biomaterials

Creation of a binuclear purple copper site within a de novo coiled-coil protein

artículo científico publicado en 2012

Creation of a type 1 blue copper site within a de novo coiled-coil protein scaffold

artículo científico publicado en 2010

Crystal Structure, Exogenous Ligand Binding, and Redox Properties of an Engineered Diiron Active Site in a Bacterial Hemerythrin

artículo científico publicado en 2013

Density functional study of molecular interactions in secondary structures of proteins

artículo científico publicado en 2016

Direct Interaction between the Voltage Sensors Produces Cooperative Sustained Deactivation in Voltage-gated H+ Channel Dimers

artículo científico publicado en 2016

Effective exchange integrals and chemical indices for a phenalenyl radical dimeric pair

Effects of a remote mutation from the contact paratope on the structure of CDR-H3 in the anti-HIV neutralizing antibody PG16

scientific article published on 27 December 2019

Elastic properties of dynein motor domain obtained from all-atom molecular dynamics simulations

artículo científico publicado en 2016

Enhanced conformational sampling method for proteins based on the TaBoo SeArch algorithm: application to the folding of a mini-protein, chignolin.

artículo científico publicado en 2015

Fluctuation Flooding Method (FFM) for accelerating conformational transitions of proteins

artículo científico publicado en 2014

H 2 O 2 -dependent substrate oxidation by an engineered diiron site in a bacterial hemerythrin

artículo científico publicado en 2014

Hydrogen bond donors and acceptors are generally depolarized in α-helices as revealed by a molecular tailoring approach

scientific article published on 17 May 2019

Inverse Ubbelohde effect in the short hydrogen bond of photosystem II: Relation between H/D isotope effect and symmetry in potential energy profile.

artículo científico publicado en 2016

Mechanistic insights in charge-transfer-induced luminescence of 1,2-dioxetanones with a substituent of low oxidation potential.

artículo científico publicado en 2005

Mg2+-dependent interactions of ATP with the cystathionine-β-synthase (CBS) domains of a magnesium transporter

scientific journal article

Molecular Dynamics Simulations Accelerated by GPU for Biological Macromolecules with a Non-Ewald Scheme for Electrostatic Interactions.

artículo científico publicado en 2013

NMR characterization of the interaction of the endonuclease domain of MutL with divalent metal ions and ATP

artículo científico publicado en 2014

Protein folding pathways extracted by OFLOOD: Outlier FLOODing method

artículo científico publicado en 2014

Quantitative Assessment of rPM6 for Fluorine- and Chlorine-Containing Metal Complexes: Comparison with Experimental, First-Principles, and Other Semiempirical Results

Reparameterization of PM6 Applied to Organic Diradical Molecules

artículo científico publicado en 2016

TaBoo SeArch Algorithm with a Modified Inverse Histogram for Reproducing Biologically Relevant Rare Events of Proteins

artículo científico publicado en 2016

Theoretical Studies of Magnetic Interactions in Mn(II)(hfac)2{di(4-pyridyl)phenylcarbene} and Cu(II)(hfac)2{di(4-pyridyl)phenylcarbene} ⬇️

artículo científico publicado el 23 de enero de 2002

Theoretical investigation of the electronic asymmetry of the special pair cation radical in the photosynthetic type-II reaction center.

artículo científico publicado en 2008

Theory for trivial trajectory parallelization of multicanonical molecular dynamics and application to a polypeptide in water

scientific article published on 15 December 2010

Lista de obras de Yu Takano

Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.

Common folding processes of mini-proteins: Partial formations of secondary structures initiate the immediate protein folding.

Computational Study on Atomic Structures, Electronic Properties, and Chemical Reactions at Surfaces and Interfaces and in Biomaterials

Creation of a binuclear purple copper site within a de novo coiled-coil protein

Creation of a type 1 blue copper site within a de novo coiled-coil protein scaffold

Crystal Structure, Exogenous Ligand Binding, and Redox Properties of an Engineered Diiron Active Site in a Bacterial Hemerythrin

Density functional study of molecular interactions in secondary structures of proteins

Direct Interaction between the Voltage Sensors Produces Cooperative Sustained Deactivation in Voltage-gated H+ Channel Dimers

Effective exchange integrals and chemical indices for a phenalenyl radical dimeric pair

Effects of a remote mutation from the contact paratope on the structure of CDR-H3 in the anti-HIV neutralizing antibody PG16

Elastic properties of dynein motor domain obtained from all-atom molecular dynamics simulations

Enhanced conformational sampling method for proteins based on the TaBoo SeArch algorithm: application to the folding of a mini-protein, chignolin.

Fluctuation Flooding Method (FFM) for accelerating conformational transitions of proteins

H 2 O 2 -dependent substrate oxidation by an engineered diiron site in a bacterial hemerythrin

Hydrogen bond donors and acceptors are generally depolarized in α-helices as revealed by a molecular tailoring approach

Inverse Ubbelohde effect in the short hydrogen bond of photosystem II: Relation between H/D isotope effect and symmetry in potential energy profile.

Mechanistic insights in charge-transfer-induced luminescence of 1,2-dioxetanones with a substituent of low oxidation potential.

Mg2+-dependent interactions of ATP with the cystathionine-β-synthase (CBS) domains of a magnesium transporter

Molecular Dynamics Simulations Accelerated by GPU for Biological Macromolecules with a Non-Ewald Scheme for Electrostatic Interactions.

NMR characterization of the interaction of the endonuclease domain of MutL with divalent metal ions and ATP

Protein folding pathways extracted by OFLOOD: Outlier FLOODing method

Quantitative Assessment of rPM6 for Fluorine- and Chlorine-Containing Metal Complexes: Comparison with Experimental, First-Principles, and Other Semiempirical Results

Reparameterization of PM6 Applied to Organic Diradical Molecules

TaBoo SeArch Algorithm with a Modified Inverse Histogram for Reproducing Biologically Relevant Rare Events of Proteins

Theoretical Studies of Magnetic Interactions in Mn(II)(hfac)2{di(4-pyridyl)phenylcarbene} and Cu(II)(hfac)2{di(4-pyridyl)phenylcarbene} ⬇️

Theoretical investigation of the electronic asymmetry of the special pair cation radical in the photosynthetic type-II reaction center.

Theory for trivial trajectory parallelization of multicanonical molecular dynamics and application to a polypeptide in water