Maria G Kurnikova

Affiliations

Chemistry Department, Carnegie Mellon University, Pittsburgh, PA, USA. kurnikova@cmu.edu.

ORCID: http://orcid.org/0000-0002-8010-8374

Publications (19)

Opening of glutamate receptor channel to subconductance levels.

Nature

Avec: Maria V Yelshanskaya , Dhilon S Patel , Christopher M Kottke , Maria G Kurnikova , Alexander I Sobolevsky

Harnessing the Substrate Promiscuity of Dioxygenase AsqJ and Developing Efficient Chemoenzymatic Synthesis for Quinolones.

ACS catalysis

Avec: Haoyu Tang , Yijie Tang , Igor V Kurnikov , Hsuan-Jen Liao , Nei-Li Chan , Maria G Kurnikova , Yisong Guo , Wei-Chen Chang

Inhibition of NMDA receptors through a membrane-to-channel path.

Nature communications

Avec: Madeleine R Wilcox , Aparna Nigam , Nathan G Glasgow , Chamali Narangoda , Matthew B Phillips , Dhilon S Patel , Samaneh Mesbahi-Vasey , Andreea L Turcu , Santiago Vázquez , Maria G Kurnikova , Jon W Johnson

Chemical science

Avec: Evgeny Gutkin , Filipp Gusev , Francesco Gentile , Fuqiang Ban , S Benjamin Koby , Chamali Narangoda , Olexandr Isayev , Artem Cherkasov , Maria G Kurnikova

Protein-Ligand Binding Free-Energy Calculations with ARROW─A Purely First-Principles Parameterized Polarizable Force Field.

Journal of chemical theory and computation

Avec: Grzegorz Nawrocki , Igor Leontyev , Serzhan Sakipov , Mikhail Darkhovskiy , Igor Kurnikov , Leonid Pereyaslavets , Ganesh Kamath , Ekaterina Voronina , Oleg Butin , Alexey Illarionov , Michael Olevanov , Alexander Kostikov , Ilya Ivahnenko , Dhilon S Patel , Subramanian K R S Sankaranarayanan , Maria G Kurnikova , Christopher Lock , Gavin E Crooks , Michael Levitt , Roger D Kornberg , Boris Fain

Spectroscopic and computational studies of a bifunctional iron- and 2-oxoglutarate dependent enzyme, AsqJ.

Methods in enzymology

Avec: Shan Xue , Yijie Tang , Igor V Kurnikov , Hsuan-Jen Liao , Jikun Li , Nei-Li Chan , Maria G Kurnikova , Wei-Chen Chang , Yisong Guo

Epoxidation Catalyzed by the Nonheme Iron(II)- and 2-Oxoglutarate-Dependent Oxygenase, AsqJ: Mechanistic Elucidation of Oxygen Atom Transfer by a Ferryl Intermediate.

Journal of the American Chemical Society

Avec: Jikun Li , Hsuan-Jen Liao , Yijie Tang , Jhih-Liang Huang , Lide Cha , Te-Sheng Lin , Justin L Lee , Igor V Kurnikov , Maria G Kurnikova , Wei-Chen Chang , Nei-Li Chan , Yisong Guo

Structural basis of AMPA receptor inhibition by trans-4-butylcyclohexane carboxylic acid.

British journal of pharmacology

Avec: Maria V Yelshanskaya , Appu K Singh , Chamali Narangoda , Robin S B Williams , Maria G Kurnikova , Alexander I Sobolevsky

A community effort in SARS-CoV-2 drug discovery.

Molecular informatics

Avec: Johannes Schimunek , Philipp Seidl , Katarina Elez , Tim Hempel , Tuan Le , Frank Noé , Simon Olsson , Lluís Raich , Robin Winter , Hatice Gokcan , Filipp Gusev , Evgeny M Gutkin , Olexandr Isayev , Maria G Kurnikova , Chamali H Narangoda , Roman Zubatyuk , Ivan P Bosko , Konstantin V Furs , Anna D Karpenko , Yury V Kornoushenko , Mikita Shuldau , Artsemi Yushkevich , Mohammed B Benabderrahmane , Patrick Bousquet-Melou , Ronan Bureau , Beatrice Charton , Bertrand C Cirou , Gérard Gil , William J Allen , Suman Sirimulla , Stanley Watowich , Nick Antonopoulos , Nikolaos Epitropakis , Agamemnon Krasoulis , Vassilis Itsikalis , Stavros Theodorakis , Igor Kozlovskii , Anton Maliutin , Alexander Medvedev , Petr Popov , Mark Zaretckii , Hamid Eghbal-Zadeh , Christina Halmich , Sepp Hochreiter , Andreas Mayr , Peter Ruch , Michael Widrich , Francois Berenger , Ashutosh Kumar , Yoshihiro Yamanishi , Kam Y J Zhang , Emmanuel Bengio , Yoshua Bengio , Moksh J Jain , Maksym Korablyov , Cheng-Hao Liu , Gilles Marcou , Enrico Glaab , Kelly Barnsley , Suhasini M Iyengar , Mary Jo Ondrechen , V Joachim Haupt , Florian Kaiser , Michael Schroeder , Luisa Pugliese , Simone Albani , Christina Athanasiou , Andrea Beccari , Paolo Carloni , Giulia D'Arrigo , Eleonora Gianquinto , Jonas Goßen , Anton Hanke , Benjamin P Joseph , Daria B Kokh , Sandra Kovachka , Candida Manelfi , Goutam Mukherjee , Abraham Muñiz-Chicharro , Francesco Musiani , Ariane Nunes-Alves , Giulia Paiardi , Giulia Rossetti , S Kashif Sadiq , Francesca Spyrakis , Carmine Talarico , Alexandros Tsengenes , Rebecca C Wade , Conner Copeland , Jeremiah Gaiser , Daniel R Olson , Amitava Roy , Vishwesh Venkatraman , Travis J Wheeler , Haribabu Arthanari , Klara Blaschitz , Marco Cespugli , Vedat Durmaz , Konstantin Fackeldey , Patrick D Fischer , Christoph Gorgulla , Christian Gruber , Karl Gruber , Michael Hetmann , Jamie E Kinney , Krishna M Padmanabha Das , Shreya Pandita , Amit Singh , Georg Steinkellner , Guilhem Tesseyre , Gerhard Wagner , Zi-Fu Wang , Ryan J Yust , Dmitry S Druzhilovskiy , Dmitry A Filimonov , Pavel V Pogodin , Vladimir Poroikov , Anastassia V Rudik , Leonid A Stolbov , Alexander V Veselovsky , Maria De Rosa , Giada De Simone , Maria R Gulotta , Jessica Lombino , Nedra Mekni , Ugo Perricone , Arturo Casini , Amanda Embree , D Benjamin Gordon , David Lei , Katelin Pratt , Christopher A Voigt , Kuang-Yu Chen , Yves Jacob , Tim Krischuns , Pierre Lafaye , Agnès Zettor , M Luis Rodríguez , Kris M White , Daren Fearon , Frank Von Delft , Martin A Walsh , Dragos Horvath , Charles L Brooks , Babak Falsafi , Bryan Ford , Adolfo García-Sastre , Sang Yup Lee , Nadia Naffakh , Alexandre Varnek , Günter Klambauer , Thomas M Hermans

Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions.

Journal of the American Chemical Society

Avec: Alexey Illarionov , Serzhan Sakipov , Leonid Pereyaslavets , Igor V Kurnikov , Ganesh Kamath , Oleg Butin , Ekaterina Voronina , Ilya Ivahnenko , Igor Leontyev , Grzegorz Nawrocki , Mikhail Darkhovskiy , Michael Olevanov , Yevhen K Cherniavskyi , Christopher Lock , Sean Greenslade , Subramanian Krs Sankaranarayanan , Maria G Kurnikova , Jeffrey Potoff , Roger D Kornberg , Michael Levitt , Boris Fain

Structural mechanism of TRPM7 channel regulation by intracellular magnesium.

Cellular and molecular life sciences : CMLS

Avec: Eva Schmidt , Chamali Narangoda , Wolfgang Nörenberg , Miyuki Egawa , Anna Rössig , Marion Leonhardt , Michael Schaefer , Susanna Zierler , Maria G Kurnikova , Thomas Gudermann , Vladimir Chubanov

Design, synthesis, and in vitro and in vivo characterization of new memantine analogs for Alzheimer's disease.

European journal of medicinal chemistry

Avec: Andreea L Turcu , Júlia Companys-Alemany , Matthew B Phillips , Dhilon S Patel , Christian Griñán-Ferré , M Isabel Loza , José M Brea , Belén Pérez , David Soto , Francesc X Sureda , Maria G Kurnikova , Jon W Johnson , Mercè Pallàs , Santiago Vázquez

Kainate receptor channel opening and gating mechanism.

Nature

Avec: Shanti Pal Gangwar , Maria V Yelshanskaya , Kirill D Nadezhdin , Laura Y Yen , Thomas P Newton , Muhammed Aktolun , Maria G Kurnikova , Alexander I Sobolevsky

Structural mechanisms of TRPM7 activation and inhibition.

Nature communications

Avec: Kirill D Nadezhdin , Leonor Correia , Chamali Narangoda , Dhilon S Patel , Arthur Neuberger , Thomas Gudermann , Maria G Kurnikova , Vladimir Chubanov , Alexander I Sobolevsky

Structure and function of the calcium-selective TRP channel TRPV6.

The Journal of physiology

Avec: Maria V Yelshanskaya , Kirill D Nadezhdin , Maria G Kurnikova , Alexander I Sobolevsky

AMPA Receptor Noncompetitive Inhibitors Occupy a Promiscuous Binding Site.

ACS chemical neuroscience

Avec: Chamali Narangoda , Serzhan N Sakipov , Maria G Kurnikova

A Hierarchical Approach to Predict Conformation-Dependent Histidine Protonation States in Stable and Flexible Proteins.

The journal of physical chemistry. B

Avec: Serzhan N Sakipov , Jose C Flores-Canales , Maria G Kurnikova

Accurate determination of solvation free energies of neutral organic compounds from first principles.

Nature communications

Avec: Leonid Pereyaslavets , Ganesh Kamath , Oleg Butin , Alexey Illarionov , Michael Olevanov , Igor Kurnikov , Serzhan Sakipov , Igor Leontyev , Ekaterina Voronina , Tyler Gannon , Grzegorz Nawrocki , Mikhail Darkhovskiy , Ilya Ivahnenko , Alexander Kostikov , Jessica Scaranto , Maria G Kurnikova , Suvo Banik , Henry Chan , Michael G Sternberg , Subramanian K R S Sankaranarayanan , Brad Crawford , Jeffrey Potoff , Michael Levitt , Roger D Kornberg , Boris Fain

Structural basis of selective TRPM7 inhibition by the anticancer agent CCT128930.

Cell reports

Avec: Kirill D Nadezhdin , Leonor Correia , Alexey Shalygin , Muhammed Aktolun , Arthur Neuberger , Thomas Gudermann , Maria G Kurnikova , Vladimir Chubanov , Alexander I Sobolevsky

Réseau de co-auteurs

Alexander I Sobolevsky 6 collaborations

Chamali Narangoda 6 collaborations

Dhilon S Patel 5 collaborations

Maria V Yelshanskaya 4 collaborations

Igor V Kurnikov 4 collaborations

Kirill D Nadezhdin 4 collaborations

Yijie Tang 3 collaborations

Hsuan-Jen Liao 3 collaborations

Nei-Li Chan 3 collaborations

Yisong Guo 3 collaborations

Wei-Chen Chang 3 collaborations

Grzegorz Nawrocki 3 collaborations

Igor Leontyev 3 collaborations

Serzhan Sakipov 3 collaborations

Mikhail Darkhovskiy 3 collaborations

Leonid Pereyaslavets 3 collaborations

Ganesh Kamath 3 collaborations

Ekaterina Voronina 3 collaborations

Oleg Butin 3 collaborations

Alexey Illarionov 3 collaborations

Michael Olevanov 3 collaborations

Ilya Ivahnenko 3 collaborations

Michael Levitt 3 collaborations

Roger D Kornberg 3 collaborations

Boris Fain 3 collaborations

Thomas Gudermann 3 collaborations

Vladimir Chubanov 3 collaborations

Matthew B Phillips 2 collaborations

Andreea L Turcu 2 collaborations

Santiago Vázquez 2 collaborations

Jon W Johnson 2 collaborations

Filipp Gusev 2 collaborations

Olexandr Isayev 2 collaborations

Igor Kurnikov 2 collaborations

Alexander Kostikov 2 collaborations

Subramanian K R S Sankaranarayanan 2 collaborations

Christopher Lock 2 collaborations

Jikun Li 2 collaborations

Jeffrey Potoff 2 collaborations

Muhammed Aktolun 2 collaborations

Leonor Correia 2 collaborations

Arthur Neuberger 2 collaborations

Serzhan N Sakipov 2 collaborations

Christopher M Kottke 1 collaboration

Haoyu Tang 1 collaboration

Madeleine R Wilcox 1 collaboration

Aparna Nigam 1 collaboration

Nathan G Glasgow 1 collaboration

Samaneh Mesbahi-Vasey 1 collaboration

Evgeny Gutkin 1 collaboration

Francesco Gentile 1 collaboration

Fuqiang Ban 1 collaboration

S Benjamin Koby 1 collaboration

Artem Cherkasov 1 collaboration

Gavin E Crooks 1 collaboration

Shan Xue 1 collaboration

Jhih-Liang Huang 1 collaboration

Lide Cha 1 collaboration

Te-Sheng Lin 1 collaboration

Justin L Lee 1 collaboration

Appu K Singh 1 collaboration

Robin S B Williams 1 collaboration

Johannes Schimunek 1 collaboration

Philipp Seidl 1 collaboration

Katarina Elez 1 collaboration

Tim Hempel 1 collaboration

Tuan Le 1 collaboration

Frank Noé 1 collaboration

Simon Olsson 1 collaboration

Lluís Raich 1 collaboration

Robin Winter 1 collaboration

Hatice Gokcan 1 collaboration

Evgeny M Gutkin 1 collaboration

Chamali H Narangoda 1 collaboration

Roman Zubatyuk 1 collaboration

Ivan P Bosko 1 collaboration

Konstantin V Furs 1 collaboration

Anna D Karpenko 1 collaboration

Yury V Kornoushenko 1 collaboration

Mikita Shuldau 1 collaboration

Artsemi Yushkevich 1 collaboration

Mohammed B Benabderrahmane 1 collaboration

Patrick Bousquet-Melou 1 collaboration

Ronan Bureau 1 collaboration

Beatrice Charton 1 collaboration

Bertrand C Cirou 1 collaboration

Gérard Gil 1 collaboration

William J Allen 1 collaboration

Suman Sirimulla 1 collaboration

Stanley Watowich 1 collaboration

Nick Antonopoulos 1 collaboration

Nikolaos Epitropakis 1 collaboration

Agamemnon Krasoulis 1 collaboration

Vassilis Itsikalis 1 collaboration

Stavros Theodorakis 1 collaboration

Igor Kozlovskii 1 collaboration

Anton Maliutin 1 collaboration

Alexander Medvedev 1 collaboration

Petr Popov 1 collaboration

Mark Zaretckii 1 collaboration

Hamid Eghbal-Zadeh 1 collaboration

Christina Halmich 1 collaboration

Sepp Hochreiter 1 collaboration

Andreas Mayr 1 collaboration

Peter Ruch 1 collaboration

Michael Widrich 1 collaboration

Francois Berenger 1 collaboration

Ashutosh Kumar 1 collaboration

Yoshihiro Yamanishi 1 collaboration

Kam Y J Zhang 1 collaboration

Emmanuel Bengio 1 collaboration

Yoshua Bengio 1 collaboration

Moksh J Jain 1 collaboration

Maksym Korablyov 1 collaboration

Cheng-Hao Liu 1 collaboration

Gilles Marcou 1 collaboration

Enrico Glaab 1 collaboration

Kelly Barnsley 1 collaboration

Suhasini M Iyengar 1 collaboration

Mary Jo Ondrechen 1 collaboration

V Joachim Haupt 1 collaboration

Florian Kaiser 1 collaboration

Michael Schroeder 1 collaboration

Luisa Pugliese 1 collaboration

Simone Albani 1 collaboration

Christina Athanasiou 1 collaboration

Andrea Beccari 1 collaboration

Paolo Carloni 1 collaboration

Giulia D'Arrigo 1 collaboration

Eleonora Gianquinto 1 collaboration

Jonas Goßen 1 collaboration

Anton Hanke 1 collaboration

Benjamin P Joseph 1 collaboration

Daria B Kokh 1 collaboration

Sandra Kovachka 1 collaboration

Candida Manelfi 1 collaboration

Goutam Mukherjee 1 collaboration

Abraham Muñiz-Chicharro 1 collaboration

Francesco Musiani 1 collaboration

Ariane Nunes-Alves 1 collaboration

Giulia Paiardi 1 collaboration

Giulia Rossetti 1 collaboration

S Kashif Sadiq 1 collaboration

Francesca Spyrakis 1 collaboration

Carmine Talarico 1 collaboration

Alexandros Tsengenes 1 collaboration

Rebecca C Wade 1 collaboration

Conner Copeland 1 collaboration

Jeremiah Gaiser 1 collaboration

Daniel R Olson 1 collaboration

Amitava Roy 1 collaboration

Vishwesh Venkatraman 1 collaboration

Travis J Wheeler 1 collaboration

Haribabu Arthanari 1 collaboration

Klara Blaschitz 1 collaboration

Marco Cespugli 1 collaboration

Vedat Durmaz 1 collaboration

Konstantin Fackeldey 1 collaboration

Patrick D Fischer 1 collaboration

Christoph Gorgulla 1 collaboration

Christian Gruber 1 collaboration

Karl Gruber 1 collaboration

Michael Hetmann 1 collaboration

Jamie E Kinney 1 collaboration

Krishna M Padmanabha Das 1 collaboration

Shreya Pandita 1 collaboration

Amit Singh 1 collaboration

Georg Steinkellner 1 collaboration

Guilhem Tesseyre 1 collaboration

Gerhard Wagner 1 collaboration

Zi-Fu Wang 1 collaboration

Ryan J Yust 1 collaboration

Dmitry S Druzhilovskiy 1 collaboration

Dmitry A Filimonov 1 collaboration

Pavel V Pogodin 1 collaboration

Vladimir Poroikov 1 collaboration

Anastassia V Rudik 1 collaboration

Leonid A Stolbov 1 collaboration

Alexander V Veselovsky 1 collaboration

Maria De Rosa 1 collaboration

Giada De Simone 1 collaboration

Maria R Gulotta 1 collaboration

Jessica Lombino 1 collaboration

Nedra Mekni 1 collaboration

Ugo Perricone 1 collaboration

Arturo Casini 1 collaboration

Amanda Embree 1 collaboration

D Benjamin Gordon 1 collaboration

David Lei 1 collaboration

Katelin Pratt 1 collaboration

Christopher A Voigt 1 collaboration

Kuang-Yu Chen 1 collaboration

Yves Jacob 1 collaboration

Tim Krischuns 1 collaboration

Pierre Lafaye 1 collaboration

Agnès Zettor 1 collaboration

M Luis Rodríguez 1 collaboration

Kris M White 1 collaboration

Daren Fearon 1 collaboration

Frank Von Delft 1 collaboration

Martin A Walsh 1 collaboration

Dragos Horvath 1 collaboration

Charles L Brooks 1 collaboration

Babak Falsafi 1 collaboration

Bryan Ford 1 collaboration

Adolfo García-Sastre 1 collaboration

Sang Yup Lee 1 collaboration

Nadia Naffakh 1 collaboration

Alexandre Varnek 1 collaboration

Günter Klambauer 1 collaboration

Thomas M Hermans 1 collaboration

Yevhen K Cherniavskyi 1 collaboration

Sean Greenslade 1 collaboration

Subramanian Krs Sankaranarayanan 1 collaboration

Eva Schmidt 1 collaboration

Wolfgang Nörenberg 1 collaboration

Miyuki Egawa 1 collaboration

Anna Rössig 1 collaboration

Marion Leonhardt 1 collaboration

Michael Schaefer 1 collaboration

Susanna Zierler 1 collaboration

Júlia Companys-Alemany 1 collaboration

Christian Griñán-Ferré 1 collaboration

M Isabel Loza 1 collaboration

José M Brea 1 collaboration

Belén Pérez 1 collaboration

David Soto 1 collaboration

Francesc X Sureda 1 collaboration

Mercè Pallàs 1 collaboration

Shanti Pal Gangwar 1 collaboration

Laura Y Yen 1 collaboration

Thomas P Newton 1 collaboration

Jose C Flores-Canales 1 collaboration

Tyler Gannon 1 collaboration

Jessica Scaranto 1 collaboration

Suvo Banik 1 collaboration

Henry Chan 1 collaboration

Michael G Sternberg 1 collaboration

Brad Crawford 1 collaboration

Alexey Shalygin 1 collaboration