Combined quantum mechanical and molecular mechanical modelling of biomolecular interactions

por Karabencheva-Christova, Tatyana
Publicado 2015

Effects of Mutations on Structure–Function Relationships of Matrix Metalloproteinase-1

por Singh, Warispreet, Fields, Gregg B., Christov, Christo Z., Karabencheva-Christova, Tatyana G.
Publicado 2016

Mechanistic Insights into the Reaction of Chlorination of Tryptophan Catalyzed by Tryptophan 7-Halogenase

por Karabencheva-Christova, Tatyana G., Torras, Juan, Mulholland, Adrian J., Lodola, Alessio, Christov, Christo Z.
Publicado 2017

Conformational Effects on the Circular Dichroism of Human Carbonic Anhydrase II: A Multilevel Computational Study

por Karabencheva-Christova, Tatyana G., Carlsson, Uno, Balali-Mood, Kia, Black, Gary W., Christov, Christo Z.
Publicado 2013

Conformational Dynamics, Ligand Binding and Effects of Mutations in NirE an S-Adenosyl-L-Methionine Dependent Methyltransferase

por Singh, Warispreet, Karabencheva-Christova, Tatyana G., Black, Gary W., Ainsley, Jon, Dover, Lynn, Christov, Christo Z.
Publicado 2016

Catalysis by the Non-Heme Iron(II) Histone Demethylase PHF8 Involves Iron Center Rearrangement and Conformational Modulation of Substrate Orientation

por Chaturvedi, Shobhit S., Ramanan, Rajeev, Lehnert, Nicolai, Schofield, Christopher J., Karabencheva-Christova, Tatyana G., Christov, Christo Z.
Publicado 2019

Catalysis by the JmjC histone demethylase KDM4A integrates substrate dynamics, correlated motions and molecular orbital control

por Ramanan, Rajeev, Chaturvedi, Shobhit S., Lehnert, Nicolai, Schofield, Christopher J., Karabencheva-Christova, Tatyana G., Christov, Christo Z.
Publicado 2020

Structural Insights from Molecular Dynamics Simulations of Tryptophan 7-Halogenase and Tryptophan 5-Halogenase

por Ainsley, Jon, Mulholland, Adrian J., Black, Gary W., Sparagano, Olivier, Christov, Christo Z., Karabencheva-Christova, Tatyana G.
Publicado 2018

Role of Structural Dynamics in Selectivity and Mechanism of Non-heme Fe(II) and 2-Oxoglutarate-Dependent Oxygenases Involved in DNA Repair

por Waheed, Sodiq O., Ramanan, Rajeev, Chaturvedi, Shobhit S., Lehnert, Nicolai, Schofield, Christopher J., Christov, Christo Z., Karabencheva-Christova, Tatyana G.
Publicado 2020

Can Second Coordination Sphere and Long-Range Interactions Modulate Hydrogen Atom Transfer in a Non-Heme Fe(II)-Dependent Histone Demethylase?

por Chaturvedi, Shobhit S., Jaber Sathik Rifayee, Simahudeen Bathir, Waheed, Sodiq O., Wildey, Jon, Warner, Cait, Schofield, Christopher J., Karabencheva-Christova, Tatyana G., Christov, Christo Z.
Publicado 2022