Related references
Note: Only part of the references are listed.Hydroxychloroquine Does Not Function as a Direct Zinc Ionophore
Oisin N. Kavanagh et al.
PHARMACEUTICS (2022)
Local molecular environment drives speciation and reactivity of ion complexes in concentrated salt solution
Nikhil Rampal et al.
JOURNAL OF MOLECULAR LIQUIDS (2021)
Dietary and Physiological Effects of Zinc on the Immune System
Inga Wessels et al.
ANNUAL REVIEW OF NUTRITION, VOL 41, 2021 (2021)
Local anesthetics transfer relies on pH differences and affinities toward lipophilic compartments
Hana Kavcic et al.
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2021)
Zinc sulfate in combination with a zinc ionophore may improve outcomes in hospitalized COVID-19 patients
Philip M. Carlucci et al.
JOURNAL OF MEDICAL MICROBIOLOGY (2020)
Does zinc supplementation enhance the clinical efficacy of chloroquine/hydroxychloroquine to win today's battle against COVID-19?
R. Derwand et al.
MEDICAL HYPOTHESES (2020)
Mode of action of quinoline antimalarial drugs in red blood cells infected by Plasmodium falciparum revealed in vivo
Sergey Kapishnikov et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2019)
Extended Zinc AMBER Force Field (EZAFF)
Zhuoqin Yu et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)
Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]
Yang Guo et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Self-Consistent Field Calculation of Nuclear Magnetic Resonance Chemical Shielding Constants Using Gauge-Including Atomic Orbitals and Approximate Two-Electron Integrals
Georgi L. Stoychev et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)
A Versatile Multiple Time Step Scheme for Efficient ab Initio Molecular Dynamics Simulations
Elisa Liberatore et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)
A Strategically Located Arg/Lys Residue Promotes Correct Base Paring During Nucleic Acid Biosynthesis in Polymerases
Vito Genna et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
Effective intermediate-spin iron in O2-transporting heme proteins
Nils Schuth et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2017)
Spontaneous Si-C bond cleavage in (TriphosSi)-nickel complexes
Anette Petuker et al.
DALTON TRANSACTIONS (2017)
Targeting endosomal acidification by chloroquine analogs as a promising strategy for the treatment of emerging viral diseases
Md Abdul Alim Al-Bari
PHARMACOLOGY RESEARCH & PERSPECTIVES (2017)
The biological inorganic chemistry of zinc ions
Artur Krezel et al.
ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS (2016)
Perspective: How good is DFT for water?
Michael J. Gillan et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Sparse maps-A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory
Christoph Riplinger et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Cooperative motion of a key positively charged residue and metal ions for DNA replication catalyzed by human DNA Polymerase-η
Vito Genna et al.
NUCLEIC ACIDS RESEARCH (2016)
Quick-EXAFS setup at the SuperXAS beamline for in situ X-ray absorption spectroscopy with 10 ms time resolution
Oliver Mueller et al.
JOURNAL OF SYNCHROTRON RADIATION (2016)
Segmented Contracted Basis Sets Optimized for Nuclear Magnetic Shielding
Frank Jensen
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Calculation of Heats of Formation for Zn Complexes: Comparison of Density Functional Theory, Second Order Perturbation Theory, Coupled-Cluster and Complete Active Space Methods
Michael N. Weaver et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Structure and Dynamics of Liquid Water from ab Initio Molecular Dynamics-Comparison of BLYP, PBE, and revPBE Density Functionals with and without van der Waals Corrections
I-Chun Lin et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Improved Correlation Energy Extrapolation Schemes Based on Local Pair Natural Orbital Methods
Dimitrios G. Liakos et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
The ORCA program system
Frank Neese
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)
Structural Survey of Zinc-Containing Proteins and Development of the Zinc AMBER Force Field (ZAFF)
Martin B. Peters et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Titration_DB: Storage and analysis of NMR-monitored protein pH titration curves
Damien Farrell et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2010)
Zn2+ Inhibits Coronavirus and Arterivirus RNA Polymerase Activity In Vitro and Zinc Ionophores Block the Replication of These Viruses in Cell Culture
Aartjan J. W. Te Velthuis et al.
PLOS PATHOGENS (2010)
Efficient, approximate and parallel Hartree-Fock and hybrid DFT calculations. A 'chain-of-spheres' algorithm for the Hartree-Fock exchange
Frank Neese et al.
CHEMICAL PHYSICS (2009)
Coordination Dynamics of Zinc in Proteins
Wolfgang Maret et al.
CHEMICAL REVIEWS (2009)
Interplay Between Malaria, Crystalline Hemozoin Formation, and Antimalarial Drug Action and Design
Isabelle Weissbuch et al.
CHEMICAL REVIEWS (2008)
Zn coordination chemistry: Development of benchmark suites for geometries, dipole moments, and bond dissociation energies and their use to test and validate density functionals and molecular orbital theory
Elizabeth A. Amin et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Syntheses, characterization, and biological evaluation of new zinc-and gold-chloroquine diphosphate complexes
Maribel Navarro et al.
TRANSITION METAL CHEMISTRY (2008)
Hartree-Fock exchange fitting basis sets for H to Rn
Florian Weigend
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Stability of different Zinc(II)-diamine complexes in aqueous solution with respect to structure and dynamics: A QM/MM MD study
M. Qaiser Fatmi et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2007)
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
Yan Zhao et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Interactions of quinoline antimalarials with hematin in solution
Timothy J. Egan
JOURNAL OF INORGANIC BIOCHEMISTRY (2006)
The pH of the digestive vacuole of Plasmodium falciparum is not associated with chloroquine resistance
R Hayward et al.
JOURNAL OF CELL SCIENCE (2006)
GROMACS: Fast, flexible, and free
D Van der Spoel et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Synthesis and characterization of new copper- and zinc-chloroquine complexes and their activities on respiratory burst of polymorphonuclear leukocytes
M Navarro et al.
JOURNAL OF INORGANIC BIOCHEMISTRY (2005)
NMR structures of paramagnetic metalloproteins
Fabio Arnesano et al.
QUARTERLY REVIEWS OF BIOPHYSICS (2005)
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
F Weigend et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
X-ray absorption spectroscopy to analyze nuclear geometry and electronic structure of biological metal centers - Potential and questions examined with special focus on the tetra-nuclear manganese complex of oxygenic photosynthesis
H Dau et al.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY (2003)
Active site electronic structure and dynamics during metalloenzyme catalysis
O Kleifeld et al.
NATURE STRUCTURAL BIOLOGY (2003)
Quinolinium trichloro(quinoline)zinc(II)
WG Wang et al.
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE (2001)
Theoretical approaches to x-ray absorption fine structure
JJ Rehr et al.
REVIEWS OF MODERN PHYSICS (2000)
Share Paper
