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Chemistry

D-Index
50
Citations
10881
World Ranking
14268
National Ranking
3684

Research.com Recognitions

  • 2014 - Fellow of the American Association for the Advancement of Science (AAAS)
  • 2007 - Fellow of American Physical Society (APS) Citation For her work in both experimental and theoretical studies of electron and proton transfer processes in proteins, in particular for her beautiful work coupling the theory of electrostatic interactions to the dynamics of charge transfer in photosynthetic reaction centers , and in recognition of her service to the Division of Biological Physics

Overview

Marilyn R. Gunner is a researcher affiliated with the City College of New York in the United States. Their work primarily lies within the field of Biochemistry, Genetics and Molecular Biology, with a focus on several subfields including Molecular Biology, Atomic and Molecular Physics and Optics, Cellular and Molecular Neuroscience, Organic Chemistry, and Renewable Energy, Sustainability and the Environment.

The key research topics covered by Marilyn R. Gunner include Photosynthetic Processes and Mechanisms, Spectroscopy and Quantum Chemical Studies, Photoreceptor and Optogenetics research, ATP Synthase and ATPases Research, Protein Structure and Dynamics, Mitochondrial Function and Pathology, and Free Radicals and Antioxidants.

Recent publications by Gunner demonstrate active engagement with photosystem structure and molecular prediction challenges. These include:

  • High-resolution cryo-electron microscopy structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803 (2021), published in Proceedings of the National Academy of Sciences
  • Evaluation of log P, pKa, and log D predictions from the SAMPL7 blind challenge (2021), published in Journal of Computer-Aided Molecular Design
  • Structure of a monomeric photosystem II core complex from a cyanobacterium acclimated to far-red light reveals the functions of chlorophylls d and f (2021), published in Journal of Biological Chemistry
  • Overview of the SAMPL6 pKa challenge: evaluating small molecule microscopic and macroscopic pKa predictions (2021), published in Journal of Computer-Aided Molecular Design
  • Protein Motifs for Proton Transfers That Build the Transmembrane Proton Gradient (2021), published in Frontiers in Chemistry

Frequent collaborators in Marilyn R. Gunner's research include Junjun Mao, Umesh Khaniya, Gary W. Brudvig, Divya Kaur, and Yingying Zhang.

Key journals and publication venues where Gunner's work appears regularly include Biochimica et Biophysica Acta (BBA) - Bioenergetics, bioRxiv (Cold Spring Harbor Laboratory), Biophysical Journal, Journal of Computer-Aided Molecular Design, and The Journal of Physical Chemistry B.

Marilyn R. Gunner has received recognition from scientific societies, notably becoming a Fellow of the American Physical Society (APS) in 2007, with a citation highlighting contributions to studies of electron and proton transfer in proteins, particularly in relation to photosynthetic reaction centers. Gunner was also named a Fellow of the American Association for the Advancement of Science (AAAS) in 2014.

Best Publications

  • Comparing photosynthetic and photovoltaic efficiencies and recognizing the potential for improvement.

    Robert E. Blankenship;David M. Tiede;James Barber;James Barber;Gary W. Brudvig

  • On the calculation of pKas in proteins

    An‐Suei Yang;M. R. Gunner;Rosemary Sampogna;Kim Sharp

  • Combining Conformational Flexibility and Continuum Electrostatics for Calculating pKas in Proteins

    Roxana E. Georgescu;Emil G. Alexov;Marilyn R. Gunner

  • Incorporating protein conformational flexibility into the calculation of pH-dependent protein properties

    E.G. Alexov;M.R. Gunner

  • Temperature and -.DELTA.G.degree. dependence of the electron transfer from BPh.cntdot.- to QA in reaction center protein from Rhodobacter sphaeroides with different quinones as QA

    M. R. Gunner;P. Leslie Dutton

  • Kinetic studies on the reaction center protein from Rhodopseudomonas sphaeroides: the temperature and free energy dependence of electron transfer between various quinones in the QA site and the oxidized bacteriochlorophyll dimer

    M. R. Gunner;Dan E. Robertson;P. Leslie Dutton

  • CALCULATED PROTEIN AND PROTON MOTIONS COUPLED TO ELECTRON TRANSFER : ELECTRON TRANSFER FROM QA- TO QB IN BACTERIAL PHOTOSYNTHETIC REACTION CENTERS

    E. G. Alexov;M. R. Gunner

  • ELECTROSTATIC POTENTIALS IN RHODOPSEUDOMONAS VIRIDIS REACTION CENTERS : IMPLICATIONS FOR THE DRIVING FORCE AND DIRECTIONALITY OF ELECTRON TRANSFER

    M. R. Gunner;Anthony Nicholls and;Barry Honig

  • MCCE2: improving protein pKa calculations with extensive side chain rotamer sampling.

    Yifan Song;Junjun Mao;Marilyn R. Gunner

  • L -2-Hydroxyglutarate production arises from noncanonical enzyme function at acidic pH

    Andrew M Intlekofer;Bo Wang;Hui Liu;Hardik Shah

  • Radical-pair energetics and decay mechanisms in reaction centers containing anthraquinones, naphthoquinones or benzoquinones in place of ubiquinone

    Neal W. Woodbury;William W. Parson;Marilyn R. Gunner;Roger C. Prince

  • Calculated coupling of electron and proton transfer in the photosynthetic reaction center of Rhodopseudomonas viridis

    C. R. D. Lancaster;H. Michel;B. Honig;M. R. Gunner

  • Electrostatic control of midpoint potentials in the cytochrome subunit of the Rhodopseudomonas viridis reaction center.

    M. R. Gunner;Barry Honig

  • How cytochromes with different folds control heme redox potentials.

    Junjun Mao;Karin Hauser;M. R. Gunner

  • Structural-functional role of chloride in photosystem II

    Ivan Rivalta;Muhamed Amin;Sandra Luber;Serguei Vassiliev

  • Are acidic and basic groups in buried proteins predicted to be ionized

    Jinrang Kim;Junjun Mao;M.R. Gunner

  • High-resolution cryo-electron microscopy structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803

    Unknown

  • Electron-transfer kinetics and electrostatic properties of the Rhodobacter sphaeroides reaction center and soluble c-cytochromes

    David M. Tiede;Annie Claude Vashishta;M. R. Gunner

  • Energetics of quinone-dependent electron and proton transfers in Rhodobacter sphaeroides photosynthetic reaction centers.

    Zhenyu Zhu and;M. R. Gunner

  • The pKa Cooperative: A collaborative effort to advance structure‐based calculations of pKa values and electrostatic effects in proteins

    Jens E. Nielsen;M. R. Gunner;E Bertrand García-Moreno

  • The Reaction Center Protein from Purple Bacteria: Structure and Function

    M. R. Gunner

Frequent Co-Authors

Gary W. Brudvig
Gary W. Brudvig Yale University
Victor S. Batista
Victor S. Batista Yale University
P. Leslie Dutton
P. Leslie Dutton University of Pennsylvania
Barry Honig
Barry Honig Columbia University
Themis Lazaridis
Themis Lazaridis City College of New York
Jimin Wang
Jimin Wang Yale University
John D. Chodera
John D. Chodera Memorial Sloan Kettering Cancer Center
Christophe Chipot
Christophe Chipot University of Illinois at Urbana-Champaign
Qiang Cui
Qiang Cui Boston University
David M. Tiede
David M. Tiede Argonne National Laboratory

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