Leif Eriksson
Professor
Department of Chemistry & MolecularAbout Leif Eriksson
Contact information: Lundberg Lab, Medicinareg. 9c, 40530 Göteborg; office 1405.
RESEARCH
Theoretical biophysical chemistry in form of computer based modeling of various biochemical processes and systems. Our focus has for a long time related to DNA damage processes, cancer and drug design; often linked to radical and photochemistry. In recent years, we have explored increasingly larger systems, including diffusion across biological membranes, drug loaded liposomes, derivation of protein structures and studies of their mechanisms, modeling of protein-protein complexes, and development of new inhibitors in cancer treatment and as antibiotics.
We utilize a wide range of methods in our research, from DFT and QM/MM to molecular dynamics simulations and bioinformatic tools such as VHTS/docking and homology modeling.
ResearcherID: D-1226-2012 ORCID: 0000-0001-5654-3109
Current research group: 1 researcher (Dr Anna Reymer), 4 Postdocs (Dr Antonio Carlesso, Dr Jalil Mahdizadeh, Dr Kevin Moreau, Dr Melissa Thomas), 2 PhD students (Fredrik Lannestam Holmelin, Johanna Hörberg), and several Master students, visiting researchers and PhD students.
TEACHING
Mainly on the following courses: General chemistry (KEM011) Analytical pharmaceutical chemistry (KER210) General pharmaceutical chemistry (KER220) Basic Molecular Modeling (KEM552)
COMMISSIONS OF TRUST
Vice head of department for research. Reviewer in SNAC (Swedish National Allocations Comittee for Supercomputing).
Participates in H2020 MSCA-RISE projects VIDEC and INSPIRED. Member of UGOT CARe (Center for Antibiotics Resistance Research). Editorial Board Member in Scientific Reports (Nature Publ Grp)
MERITS
Leif Eriksson studied Chemistry at Stockholm university and University of Sussex 1985-1988. He received his PhD in Quantum chemistry at Uppsala Universitet (1992), followed by a postdoctoral fellowship from the Swedish research council VR (then 'NFR') to go to Dalhousie University, Canada, 92/93. He most recently comes from NUI Galway, Ireland, and holds the current professorship in physical chemistry at GU since 2011. He was awarded the 2017 Pedagogic price from the Science section of the Göta Student Union at University of Gothenburg.
Eriksson has published >285 peer reviewed research papers and some 20 review papers and book chapters, in the field of theoretical/computational (bio)chemistry. He holds the patents of new pharmaceuticals targeting skin cancer, glioblastoma, and Vitamin A degradation, and is part owner of spin-out companies C26 Bioscience, and Cell Stress Discoveries. He is currently involved in the development of several new drugs, of which the first are in the patenting stage.
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Discovery of novel inhibitors for Pseudomonas aeruginosa lipase enzyme from in silico and in vitro
studies
Asma Gholami, D. Minai-Tehrani, Anne Farewell, Leif A Eriksson
Journal of Biomolecular Structure & Dynamics - 2023 -
Structural Insights into Pseudomonas aeruginosa Exotoxin A-Elongation Factor 2 Interactions: A Molecular Dynamics
Study
Asma Gholami, D. Minai-Tehrani, Sayyed Jalil Mahdizadeh, P. Saenz-Mendez, Leif A Eriksson
Journal of Chemical Information and Modeling - 2023 -
Gene Editing Corrects In Vitro a G > A GLB1 Transition from a GM1 Gangliosidosis
Patient
D. Leclerc, L. Goujon, S. Jaillard, B. Nouyou, L. Cluzeau, L. Damaj, C. Dubourg, A. Etcheverry, T. Levade, R. Froissart, S. Dreano, X. Guillory, Leif A Eriksson, E. Launay, F. Mouriaux, M. A. Belaud-Rotureau, S. Odent, D. Gilot
Crispr Journal - 2023 -
Metalloprotease-mediated cleavage of CD95
ligand
V. Risso, Melissa Thomas, B. Guevel, R. Lavigne, E. Com, S. Martin, M. Nivet, C. Pineau, L. Negroni, E. Lafont, E. Chevet, Leif A Eriksson, M. Le Gallo
FEBS Journal - 2023 -
A novel DPH5-related diphthamide-deficiency syndrome causing embryonic lethality or profound neurodevelopmental
disorder
Suma P. Shankar, Kristin Grimsrud, Louise Lanoue, Alena Egense, Brandon Willis, Johanna Hörberg, Lama AlAbdi, Klaus Mayer, Koray Ütkür, Kristin G. Monaghan, Joel Krier, Joan Stoler, Maha Alnemer, Prabhu R. Shankar, Raffael Schaffrath, Fowzan S. Alkuraya, Ulrich Brinkmann, Leif A Eriksson, Kent Lloyd, Katherine A. Rauen
Genetics in Medicine - 2022 -
High-resolution structure of a fish aquaporin reveals a novel extracellular
fold
Jiao Zeng, Florian Schmitz, Simon Isaksson, Jessica Glas, Olivia Arbab, Martin Andersson, Kristina Sundell, Leif A Eriksson, Kunchithapadam Swaminathan, Susanna Törnroth-Horsefield, Kristina Hedfalk
Life Science Alliance - 2022 -
Anterior gradient proteins in gastrointestinal cancers: from cell biology to
pathophysiology
Emeric Boisteau, Céline Posseme, Federico Di Modugno, Julien Edeline, Cédric Coulouarn, Roman Hrstka, Andrea Martisova, Frédéric Delom, Xavier Treton, Leif A Eriksson, Eric Chevet, Astrid Lièvre, Eric Ogier-Denis
Oncogene - 2022 -
Mechanical strain stimulates COPII-dependent secretory trafficking via
Rac1
S. Phuyal, E. Djaerff, A. L. Le Roux, M. J. Baker, D. Fankhauser, Sayyed Jalil Mahdizadeh, V. Reiterer, A. Parizadeh, E. Felder, J. C. Kahlhofer, D. Teis, M. G. Kazanietz, S. Geley, Leif A Eriksson, P. Roca-Cusachs, H. Farhan
Embo Journal - 2022 -
Virtual Screening Expands the Non-Natural Amino Acid Palette for Peptide
Optimization
Kosala N. Amarasinghe, L. De Maria, C. Tyrchan, Leif A Eriksson, J. Sadowski, D. Petrovic
Journal of Chemical Information and Modeling - 2022 -
Markov state models elucidate the stability of DNA influenced by the chiral 5S-Tg
base
S. D. Wang, R. B. Zhang, Leif A Eriksson
Nucleic Acids Research - 2022 -
QM/MM Well-Tempered Metadynamics Study of the Mechanism of XBP1 mRNA Cleavage by Inositol Requiring Enzyme 1 alpha
RNase
Sayyed Jalil Mahdizadeh, Emil Pålsson, Antonio Carlesso, E. Chevet, Leif A Eriksson
Journal of Chemical Information and Modeling - 2022 -
Computational Studies of the Photodegradation Mechanism of the Highly Phototoxic Agent
Benoxaprofen
K. A. K. Musa, Leif A Eriksson
Acs Omega - 2022 -
Sensor dimer disruption as a new mode of action to block the IRE1-mediated unfolded protein
response
Kosala N. Amarasinghe, D. Pelizzari-Raymundo, Antonio Carlesso, E. Chevet, Leif A Eriksson, Sayyed Jalil Mahdizadeh
Computational and Structural Biotechnology Journal - 2022 -
Stress-induced tyrosine phosphorylation of RtcB modulates IRE1 activity and signaling
outputs
A. Papaioannou, F. Centonze, A. Metais, M. Maurel, L. Negroni, M. Gonzalez-Quiroz, Sayyed Jalil Mahdizadeh, Gabriella Svensson, Ensieh Zare, A. Blondel, A. C. Koong, C. Hetz, R. Pedeux, M. L. Tremblay, Leif A Eriksson, E. Chevet
Life science alliance - 2022 -
Structure-Based Drug Discovery of IRE1
Modulators
D. Pelizzari Raymundo, Leif A Eriksson, E. Chevet, X. Guillory
The Unfolded Protein Response - 2022 -
Dynamics of 5R-Tg Base Flipping in DNA Duplexes Based on Simulations-Agreement with Experiments and
Beyond
S. D. Wang, Leif A Eriksson, R. B. Zhang
Journal of Chemical Information and Modeling - 2022 -
Apoptosome Formation through Disruption of the K192-D616 Salt Bridge in the Apaf-1 Closed
Form
F. Sahebazzamani, S. Hosseinkhani, Leif A Eriksson, H. O. Fearnhead
Acs Omega - 2021 -
SARS-CoV-2 integral membrane proteins shape the serological responses of patients with
COVID-19
S. Martin, C. Heslan, G. Jegou, Leif A Eriksson, M. Le Gallo, V. Thibault, E. Chevet, F. Godey, T. Avril
Iscience - 2021 -
Structural and molecular bases to IRE1 activity
modulation
T. Langlais, D. Pelizzari-Raymundo, Sayyed Jalil Mahdizadeh, N. Gouault, F. Carreaux, E. Chevet, Leif A Eriksson, X. Guillory
Biochemical Journal - 2021 -
Molecular-dynamics-simulation-guided membrane engineering allows the increase of membrane fatty acid chain length in Saccharomyces
cerevisiae
J. M. Maertens, S. Scrima, M. Lambrughi, Samuel Genheden, C. Trivellin, Leif A Eriksson, E. Papaleo, L. Olsson, M. Bettiga
Scientific Reports - 2021 -
The stressosome, a caspase-8-activating signalling complex assembled in response to cell stress in an ATG5-mediated
manner
K. Mnich, I. Koryga, K. Pakos-Zebrucka, Melissa Thomas, S. E. Logue, Leif A Eriksson, A. M. Gorman, A. Samali
Journal of Cellular and Molecular Medicine - 2021 -
Reconstruction of the Fas-Based Death-Inducing Signaling Complex ( DISC) Using a Protein-Protein Docking
Meta-Approach
Sayyed Jalil Mahdizadeh, Melissa Thomas, Leif A Eriksson
Journal of Chemical Information and Modeling - 2021 -
Peptidomimetic-based identification of FDA-approved compounds inhibiting IRE1
activity
D. Doultsinos, Antonio Carlesso, C. Chintha, J. C. Paton, A. W. Paton, A. Samali, E. Chevet, Leif A Eriksson
Febs Journal - 2021 -
Loss of WD2 subdomain of Apaf-1 forms an apoptosome structure which blocks activation of caspase-3 and
caspase-9
A. R. Noori, A. Tashakor, M. Nikkhah, Leif A Eriksson, S. Hosseinkhani, H. O. Fearnhead
Biochimie - 2021 -
Deciphering the selectivity of inhibitor MKC9989 towards residue K907 in IRE1 alpha; a multiscale in silico
approach
Sayyed Jalil Mahdizadeh, Antonio Carlesso, Leif A Eriksson
RSC Advances - 2020 -
Pharmacological Targeting of IRE1 in
Cancer
D. P. Raymundo, D. Doultsinos, X. Guillory, Antonio Carlesso, Leif A Eriksson, E. Chevet
Trends in Cancer - 2020 -
Protein kinase A controls yeast growth in visible
light
Mikael Molin, Katarina Logg, Kristofer Bodvard, Ken Peeters, Annabelle Forsmark, Friederike Roger, Anna Jörhov, Neha Mishra, Jean-Marc Billod, Sabiha Amir, Mikael Andersson, Leif A Eriksson, Jonas Warringer, Mikael Käll, Anders Blomberg
BMC biology - 2020 -
New insights on human IRE1 tetramer structures based on molecular
modeling
Antonio Carlesso, Johanna Hörberg, Anna Reymer, Leif A Eriksson
Scientific Reports - 2020 -
Molecular dynamics study of the recognition of ATP by nucleic acid
aptamers
Y. C. Xie, Leif A Eriksson, R. B. Zhang
Nucleic acids research - 2020 -
Interaction of cobalt and iron hydroperoxo bleomycin with deoxyribonucleic acid (DNA): Dynamic vs. electronic structure
considerations
F. Carrascoza, M. Surducan, Leif A Eriksson, R. Silaghi-Dumitrescu
Inorganica Chimica Acta - 2020 -
Oxygen Dependent Purine Lesions in Double-Stranded Oligodeoxynucleotides: Kinetic and Computational Studies Highlight the Mechanism for 5 ',8-Cyclopurine
Formation
C. Chatgilialoglu, Leif A Eriksson, M. G. Krokidis, A. Masi, S. D. Wang, R. B. Zhang
Journal of the American Chemical Society - 2020 -
Footprints of natural selection at the mannose-6-phosphate isomerase locus in
barnacles
J. C. B. Nunez, P. A. Flight, K. B. Neil, S. Rong, Leif A Eriksson, D. A. Ferranti, Magnus Alm Rosenblad, Anders Blomberg, D. M. Rand
Proceedings of the National Academy of Sciences of the United States of America - 2020 -
Molecular modeling provides a structural basis for PERK inhibitor selectivity towards
RIPK1
C. Chintha, Antonio Carlesso, A. M. Gorman, A. Samali, Leif A Eriksson
RSC Advances - 2020 -
Effect of Kinase Inhibiting RNase Attenuator (KIRA) Compounds on the Formation of Face-to-Face Dimers of Inositol-Requiring Enzyme 1: Insights from Computational
Modeling
Antonio Carlesso, C. Chintha, A. M. Gorman, A. Samali, Leif A Eriksson
International Journal of Molecular Sciences - 2019 -
A new split-luciferase complementation assay identifies pentachlorophenol as an inhibitor of apoptosome
formation
A. Tashakor, M. H-Dehkordi, E. O'Connell, S. G. Ganau, R. Gozalbes, Leif A Eriksson, S. Hosseinkhani, H. O. Fearnhead
Febs Open Bio - 2019 -
Control of anterior GRadient 2 (AGR2) dimerization links endoplasmic reticulum proteostasis to
inflammation
M. Maurel, J. Obacz, T. Avril, Y. P. Ding, O. Papadodima, X. Treton, F. Daniel, E. Pilalis, Johanna Hörberg, W. Y. Hou, M. C. Beauchamp, J. Tourneur-Marsille, D. Cazals-Hatem, L. Sommerova, A. Samali, J. Tavernier, R. Hrstka, A. Dupont, D. Fessart, F. Delom, M. E. Fernandez-Zapico, G. Jansen, Leif A Eriksson, D. Y. Thomas, L. Jerome-Majewska, T. Hupp, A. Chatziioannou, E. Chevet, E. Ogier-Denis
EMBO Molecular Medicine - 2019 -
The unfolded protein response modulators GSK2606414 and KIRA6 are potent KIT
inhibitors
M. Mahameed, T. Wilhelm, O. Darawshi, A. Obiedat, W. S. Tommy, C. Chintha, T. Schubert, A. Samali, E. Chevet, Leif A Eriksson, M. Huber, B. Tirosh
Cell Death and Disease - 2019 -
Selective Inhibition of IRE1 Signalling mediated by MKC9989: New Insights from Molecular Docking and Molecular Dynamics
Simulations
Antonio Carlesso, Leif A Eriksson
Chemistryselect - 2019 -
Proline 411 biases the conformation of the intrinsically disordered plant UVR8 photoreceptor C27 domain altering the functional properties of the
peptide
Min Wu, Daniel Farkas, Leif A Eriksson, A. Strid
Scientific Reports - 2019 -
Merits and pitfalls of conventional and covalent docking in identifying new hydroxyl aryl aldehyde like compounds as human IRE1
inhibitors
Antonio Carlesso, C. Chintha, A. M. Gorman, A. Samali, Leif A Eriksson
Scientific Reports - 2019 -
Endoplasmic reticulum stress signalling - from basic mechanisms to clinical
applications
A. Almanza, Antonio Carlesso, C. Chintha, S. Creedican, D. Doultsinos, B. Leuzzi, A. Luis, N. McCarthy, L. Montibeller, S. More, A. Papaioannou, F. Puschel, M. L. Sassano, J. Skoko, P. Agostinis, J. de Belleroche, Leif A Eriksson, S. Fulda, A. M. Gorman, S. Healy, A. Kozlov, C. Munoz-Pinedo, M. Rehm, E. Chevet, A. Samali
Febs Journal - 2019 -
Binding Analysis of the Inositol-Requiring Enzyme 1 Kinase
Domain
Antonio Carlesso, C. Chintha, A. M. Gorman, A. Samali, Leif A Eriksson
ACS Omega - 2018 -
Exploring polypharmacology in drug
design
Patricia Saenz-Méndez, Leif A Eriksson
Rational drug design - 2018 -
QM/MM Studies of Dph5-A Promiscuous Methyltransferase in the Eukaryotic Biosynthetic Pathway of
Diphthamide
Johanna Hörberg, P. Saenz-Mendez, Leif A Eriksson
Journal of Chemical Information and Modeling - 2018 -
In silico and in vitro studies of the reduction of unsaturated alpha,beta bonds of trans-2-hexenedioic acid and 6-amino-trans-2-hexenoic acid - Important steps towards biobased production of adipic
acid
E. Karlsson, J. H. Shin, G. Westman, Leif A Eriksson, L. Olsson, V. Mapell
Plos One - 2018 -
Alcohols enhance the rate of acetic acid diffusion in S. cerevisiae: biophysical mechanisms and implications for acetic acid
tolerance
L. Lindahl, Samuel Genheden, F. Faria-Oliveira, S. Allard, Leif A Eriksson, L. Olsson, M. Bettiga
Microbial Cell - 2018 -
Theoretical Insights on the Inefficiency of RNA Oxidative Damage under Aerobic
Conditions
S. Zhao, Leif A Eriksson, R. B. Zhang
Journal of Physical Chemistry A - 2018 -
Analysis of aquaporins from the euryhaline barnacle Balanus improvisus reveals differential expression in response to changes in
salinity
Ulrika Lind, Michael Järvå, Magnus Alm Rosenblad, Piero Pingitore, Emil Karlsson, Anna Lisa Wrange, Emelie Kamdal, Kristina Sundell, Carl André, Per R. Jonsson, Jonathan N. Havenhand, Leif A Eriksson, Kristina Hedfalk, Anders Blomberg
PLoS ONE - 2017 -
Computational Chemistry and Molecular Modelling
Basics
Samuel Genheden, Anna Reymer, Patricia Saenz-Méndez, Leif A Eriksson
Computational Tools for Chemical Biology - 2017 -
Homology model of the human tRNA splicing ligase
RtcB
A. Nandy, Patricia Saenz-Mendez, A. M. Gorman, A. Samali, Leif A Eriksson
Proteins-Structure Function and Bioinformatics - 2017 -
Ibuprofen and ketoprofen potentiate UVA-induced cell death by a photosensitization
process
E. Bignon, M. Marazzi, V. Besancenot, H. Gattuso, G. Drouot, C. Morell, Leif A Eriksson, S. Grandemange, E. Dumont, A. Monari
Scientific Reports - 2017 -
Analysis of Biphenyl-Type Inhibitors Targeting the Eg5 alpha 4/alpha 6 Allosteric
Pocket
Chunxia Gao, N. F. Lowndes, Leif A Eriksson
Acs Omega - 2017 -
Ligand Selectivity between the ADP-Ribosylating Toxins: An Inverse-Docking Study for Multitarget Drug
Discovery
Patricia Saenz-Mendez, Martin Eriksson, Leif A Eriksson
Acs Omega - 2017 -
On the formation of a side product with hexahydroaporphine-like structure in the Grewe cyclization of
dextromethorphan
Qiao Zhao, Kai Zhao, Sheng ying Wu, Bo xue Tian, Leif A Eriksson, Li min Wang, Na An, Zhong zhu Long, Shui hong Cai
Research on Chemical Intermediates - 2017 -
Targeting cancer using KAT inhibitors to mimic lethal
knockouts.
James A L Brown, Emer Bourke, Leif A Eriksson, Michael J Kerin
Biochemical Society transactions - 2016 -
Estimation of Liposome Penetration Barriers of Drug Molecules with All-Atom and Coarse-Grained
Models
Samuel Genheden, Leif A Eriksson
Journal of Chemical Theory and Computation - 2016 -
Structures, Properties, and Dynamics of Intermediates in eEF2-Diphthamide
Biosynthesis
Jean-Marc Billod, Patricia Saenz-Mendez, Anders Blomberg, Leif A Eriksson
Journal of Chemical Information and Modeling - 2016 -
Secretion of protein disulphide isomerase AGR2 confers tumorigenic
properties
D. Fessart, C. Domblides, T. Avril, Leif A Eriksson, H. Begueret, R. Pineau, C. Malrieux, N. Dugot-Senant, C. Lucchesi, E. Chevet, F. Delom
Elife - 2016 -
Permeability of 5-aminolevulinic acid oxime derivatives in lipid
membranes
Emma S. E. Eriksson, E. Erdtman, Leif A Eriksson
Theoretical Chemistry accounts - 2016 -
Defects in the calcium-binding region drastically affect the cadherin-like domains of RET tyrosine
kinase
Chunxia Gao, Morten Grøtli, Leif A Eriksson
Physical Chemistry Chemical Physics - 2016 -
Improved Homology Model of the Human all-trans Retinoic Acid Metabolizing Enzyme
CYP26A1
M. K. A. Awadalla, T. M. Alshammari, Leif A Eriksson, P. Saenz-Mendez
Molecules - 2016 -
Sphingolipids contribute to acetic acid resistance in Zygosaccharomyces
bailii
Lina Lindahl, Samuel Genheden, Leif A Eriksson, Lisbeth Olsson, Maurizio Bettiga
Biotechnology and Bioengineering - 2016 -
Exploration of multiple Sortase A protein conformations in virtual
screening
C. X. Gao, Ivana Uzelac, Johan Gottfries, Leif A Eriksson
Scientific Reports - 2016 -
DNA Distortion Caused by Uracil-Containing Intrastrand
Cross-Links
C. D. M. Churchill, Leif A Eriksson, S. D. Wetmore
Journal of Physical Chemistry B - 2016 -
A Structural Comparison Approach for Identifying Small Variations in Binding Sites of Homologous
Proteins
Ivana Uzelac, Thomas Olsson, Leif A Eriksson, Johan Gottfries
Computational Molecular Bioscience - 2015 -
Characterization of interactions and pharmacophore development for DFG-out inhibitors to RET tyrosine
kinase
Chunxia Gao, Morten Grøtli, Leif A Eriksson
Journal of Molecular Modeling - 2015 -
Membrane engineering for reduced acetic acid stress: insights from Zygosaccharomyces
bailii
Lina Lindahl, Aline X S Santos, Samuel Genheden, Leif A Eriksson, Howard Riezman, Lisbeth Olsson, Maurizio Bettiga
Oral presentation at 12th Yeast Lipid Conference, May 20-22 2015, Ghent, Belgium - 2015 -
Membrane engineering for reduced acetic acid stress: insights from Zygosaccharomyces
bailii
Lina Lindahl, Samuel Genheden, Leif A Eriksson, Lisbeth Olsson, Maurizio Bettiga
Oral presentation at 37th Symposium on Biotechnology for Fuels and Chemicals (SBFC), April 27-30 2015, San Diego, USA - 2015 -
THE INFLUENCE OF MEMBRANE COMPOSTION ON ACETIC ACID PERMEABILITY AND POTENTIALLY ACETIC ACID
TOLERANCE
Lina Lindahl, Helén Olsson, Samuel Genheden, Leif A Eriksson, Aline X S Santos, Howard Riezman, Lisbeth Olsson, Maurizio Bettiga
ISSY31: 31st International Specialised Symposium on Yeast - 2014 -
Improved homology model of cyclohexanone monooxygenase from Acinetobacter calcoaceticus based on multiple
templates
Eduardo Bermúdez, Oscar N. Ventura, Leif A Eriksson, Patricia Saenz-Méndez
Computational biology and chemistry - 2014 -
Molecular dynamics studies of Liposomes as carriers for photosensitizing drugs: Development, validation, and simulations with a coarse-grained
model
J. P. M. Jämbeck, Emma S. E. Eriksson, A. Laaksonen, A. P. Lyubartsev, Leif A Eriksson
Journal of Chemical Theory and Computation - 2014 -
De novo tertiary structure prediction using RNA123-benchmarking and application to
Macugen
Emma S. E. Eriksson, L. Joshi, Martin Billeter, Leif A Eriksson
Journal of Molecular Modeling - 2014 -
Deamination features of 5-hydroxymethylcytosine, a radical and enzymatic DNA oxidation
product
A. Grand, N. Jorge, C. Morell, J. Cadet, Leif A Eriksson
Journal of Molecular Modeling - 2014 -
Hydrogen peroxide contributes to the ultraviolet-B (280-315 nm) induced oxidative stress of plant leaves through multiple
pathways
G. Czegeny, Min Wu, A. Der, Leif A Eriksson, A. Strid, E. Hideg
Febs Letters - 2014 -
Rational design and validation of a Tip60 histone acetyltransferase
inhibitor
Chunxia Gao, E. Bourke, M. Scobie, M. A. Famme, T. Koolmeister, T. Helleday, Leif A Eriksson, N. F. Lowndes, J. A. L. Brown
Scientific Reports - 2014 -
Photochemical Reaction Mechanism of UV-B-Induced Monomerization of UVR8 Dimers as the First Signaling Event in UV-B-Regulated Gene Expression in
Plants
Min Wu, A. Strid, Leif A Eriksson
Journal of Physical Chemistry B - 2014 -
Interactions and Stabilities of the UV RESISTANCE LOCUS8 (UVR8) Protein Dimer and Its Key
Mutants
Min Wu, Åke Strid, Leif A Eriksson
Journal of Chemical Information and Modeling - 2013 -
Mechanistic insight into self-propagation in organo-mediated Beckmann rearrangement: A combined experimental and computational
study.
N. An, B.-X. Tian, H.-J. Pi, Leif A Eriksson, W.-P. Deng
Journal of Organic Chemistry - 2013 -
Of mice and men: Dissecting the interaction between Listeria monocytogenes Internalin A and murine vs human
E-Cadherin,
Samuel Genheden, Leif A Eriksson
Computational and Structural Biotechnology Journal - 2013 -
Development of non-standard arginine residue parameters for use with the AMBER force
fields
Min Wu, A. Strid, Leif A Eriksson
Chemical Physics Letters - 2013 -
Modification of the anticancer drug tamoxifen to avoid CYP2D6
polymorphism
L. Gao, X. Q. Sun, Y. Q. Tu, H. Agren, Leif A Eriksson
Canadian Journal of Chemistry-Revue Canadienne De Chimie - 2013 -
Predicting Enzyme-Substrate Specificity with QM/MM Methods: A Case Study of the Stereospecificity of D-Glucarate
Dehydratase
B. X. Tian, F. Wallrapp, C. Kalyanaraman, S. W. Zhao, Leif A Eriksson, M. P. Jacobson
Biochemistry - 2013 -
UV-induced formation of the thymine–thymine pyrimidine (6-4) pyrimidone photoproduct – a DFT study of the oxetane intermediate ring
opening.
Vanessa Labet, Nelly Jorge, Christophe Morell, Thierry Douki, André Grand, Jean Cadet, Leif A Eriksson
Photochemical and Photobiological Sciences - 2013 -
Theoretical prediction of the protein-protein interaction between Arabidopsis thaliana COP1 and
UVR8
Min Wu, Åke Strid, Leif A Eriksson
Theoretical Chemistry accounts - 2013 -
Catalysts or Initiators? Beckmann Rearrangement
Revisited
B. X. Tian, N. An, W. P. Deng, Leif A Eriksson
Journal of Organic Chemistry - 2013 -
Impact of mutations on K-Ras-p120GAP
interaction
Chunxia Gao, Leif A Eriksson
Computational Molecular Biosciences - 2013 -
Insight into reaction mechanism and product formation a C8-purine radical in RNA: a theoretical
perspective
C. Qi, F. C. Liu, Leif A Eriksson, R. B. Zhang
Theoretical Chemistry Accounts - 2013 -
Antioxidant properties of beta-carotene isomers and their role in photosystems: insights from ab initio
simulations
J. Cerezo, J. Zuniga, A. Bastida, A. Requena, J.P. Cerón-Carrasco, Leif A Eriksson
Journal of Physical Chemistry A - 2012 -
Comparison of the Mechanism of Deamination of 5,6-dihydro-5-methylcytosine with other cytosine
derivatives
A. Grand, J. Cadet, Leif A Eriksson, V. Labet, N.L. Jorge, M.L. Schreiber, T. Douki, C. Morell
Theoretical Chemistry accounts - 2012 -
Stability and iron coordination in DNA adducts of Anthracycline based anti-cancer
drugs
A. Eizaguirre, M. Yanez, Leif A Eriksson
Physical Chemistry Chemical Physics - 2012 -
Cloning and Functional Studies of a Splice Variant of CYP26B1 Expressed in Vascular
Cells
A. A. Elmabsout, A. Kumawat, P. Saenz-Mendez, O. Krivospitskaya, H. Savenstrand, P. S. Olofsson, Leif A Eriksson, A. Strid, G. Valen, H. Torma, A. Sirsjo
Plos One - 2012 -
Identifying the sarco(endo)plasmic reticulum Ca2+ ATPase (SERCA) as a potential target for hypericin - a theoretical
study
Emma S. E. Eriksson, Leif A Eriksson
Physical Chemistry Chemical Physics - 2012 -
COMPARE analysis of the toxicity of an iminoquinone derivative of the imidazo[5,4-f]benzimidazoles with NAD(P)H:quinone Oxidoreductase 1 (NQO1) activity and computational docking of quinones as NQO1
substrates
V. Fagan, S. Bonham, M.P. Carty, P. Saenz-Mendez, Leif A Eriksson, F. Aldabbagh
Bioorganic & Medicinal Chemistry - 2012 -
Characterization of Agonist Binding to His524 in the Estrogen Receptor α Ligand Binding
Domain
L. Gao, Y. Tu, H. Ågren, Leif A Eriksson
Journal of Physical Chemistry B - 2012 -
Synthesis, kinase activity and molecular modeling of a resorcylic acid lactone incorporating an amide and a trans-enone in the
macrocycle
C. Napolitano, V. R. Palwai, Leif A Eriksson, P. V. Murphy
Tetrahedron - 2012 -
7-Nitro-4-(phenylthio)benzofurazan is a potent generator of superoxide and hydrogen
peroxide
Erik V. Patridge, Emma S. E. Eriksson, Philip G. Penketh, Raymond P. Baumann, Rui Zhu, Krishnamurthy Shyam, Leif A Eriksson, A. C. Sartorelli
Archives of Toxicology - 2012 -
Homology models of human all-trans retinoic acid metabolizing enzymes CYP26B1 and CYP26B1
spliced-variant.
P. Saenz-Mendez, A.A. Elmabsout, H. Sävenstrand, M.K.A. Awadalla, Å. Strid, A. Sirsjö, Leif A Eriksson
Journal of Chemical Information and Modeling - 2012 -
Theoretical studies of chemical reactivity of metabolically activated forms of aromatic amines towards
DNA.
I. Shamovsky, L. Ripa, N. Blomberg, Leif A Eriksson, P. Hansen, C. Mee, C. Tyrchan, M. O'Donovan, P. Sjö
Chemical Research in Toxicology - 2012 -
Catalytic mechanism of porphobilinogen synthase: The chemical step revisited by QM/MM
calculations
B.-X. Tian, E. Erdtman, Leif A Eriksson
Journal of Physical Chemistry B - 2012 -
Catalytic Mechanism and Product Specificity of Oxidosqualene-Lanosterol Cyclase: A QM/MM
Study
B. X. Tian, Leif A Eriksson
Journal of Physical Chemistry B - 2012 -
Catalytic Mechanism and Roles of Arg197 and Thr183 in the Staphylococcus aureus Sortase A
Enzyme.
Bo-Xue Tian, Leif A Eriksson
The journal of physical chemistry. B - 2011 -
Theoretical study of pyridoxine (vitamin b6)
photolysis.
Min Wu, Qi Xu, Ake Strid, Jaime M Martell, Leif A Eriksson
The journal of physical chemistry. A - 2011