Publikationer

Amino acid substitutions in human growth hormone affect secondary structure and receptor binding

Rajkovic, Andrei; Kanchugal Puttaswamy, Sandesh; Abdurakhmanov, Eldar; Howard, Rebecca et al.

Ingår i PLOS ONE, 2023.

DOI för Amino acid substitutions in human growth hormone affect secondary structure and receptor binding Ladda ner fulltext (pdf) av Amino acid substitutions in human growth hormone affect secondary structure and receptor binding

Amino acid substitutions in human growth hormone affect secondary structure and receptor binding

Rajkovic, Andrei; Kanchugal Puttaswamy, Sandesh; Abdurakhmanov, Eldar; Howard, Rebecca et al.

Ingår i PLOS ONE, 2023.

DOI för Amino acid substitutions in human growth hormone affect secondary structure and receptor binding Ladda ner fulltext (pdf) av Amino acid substitutions in human growth hormone affect secondary structure and receptor binding

Computational design of the temperature optimum of an enzyme reaction

van der Ent, Florian; Skagseth, Susann; Lund, Bjarte A.; Socan, Jaka et al.

Ingår i Science Advances, 2023.

DOI för Computational design of the temperature optimum of an enzyme reaction Ladda ner fulltext (pdf) av Computational design of the temperature optimum of an enzyme reaction

Phage T3 overcomes the BREX defense through SAM cleavage and inhibition of SAM synthesis by SAM lyase

Andriianov, Aleksandr; Trigüis, Silvia; Drobiazko, Alena; Sierro, Nicolas et al.

Ingår i Cell Reports, 2023.

DOI för Phage T3 overcomes the BREX defense through SAM cleavage and inhibition of SAM synthesis by SAM lyase Ladda ner fulltext (pdf) av Phage T3 overcomes the BREX defense through SAM cleavage and inhibition of SAM synthesis by SAM lyase

Protein cohabitation: long-term immunoglobulin G storage at room temperature

Bharmoria, Pankaj; Ooi, Saik Ann; Cellini, Andrea; Tietze, Daniel et al.

Ingår i Journal of materials chemistry. B, s. 5400-5405, 2023.

DOI för Protein cohabitation: long-term immunoglobulin G storage at room temperature

5 suggestions to increase grant application success rates

Kamerlin, Shina C. Lynn

Ingår i EMBO Reports, 2022.

DOI för 5 suggestions to increase grant application success rates

Archaic chaperone-usher pili self-secrete into superelastic zigzag springs

Pakharukova, Natalia; Malmi, Henri; Tuittila, Minna; Dahlberg, Tobias et al.

Ingår i Nature, s. 335-+, 2022.

DOI för Archaic chaperone-usher pili self-secrete into superelastic zigzag springs Ladda ner fulltext (pdf) av Archaic chaperone-usher pili self-secrete into superelastic zigzag springs

Comparative structural analysis provides new insights into the function of R2‐like ligand‐binding oxidase

Diamanti, Riccardo; Srinivas, Vivek; Johansson, Annika I.; Nordström, Anders et al.

Ingår i FEBS Letters, s. 1600-1610, 2022.

DOI för Comparative structural analysis provides new insights into the function of R2‐like ligand‐binding oxidase Ladda ner fulltext (pdf) av Comparative structural analysis provides new insights into the function of R2‐like ligand‐binding oxidase

Late-termination of pregnancy for medical reasons: when abortion isn't really by choice

Kamerlin, Shina C. Lynn

Ingår i EMBO Reports, 2022.

DOI för Late-termination of pregnancy for medical reasons: when abortion isn't really by choice

Scholars in peril: when being a scientist can land you in jail (or worse)

Kamerlin, Shina C. Lynn

Ingår i EMBO Reports, 2022.

DOI för Scholars in peril: when being a scientist can land you in jail (or worse)

Structural Consequences of Deproteinating the 50S Ribosome

Larsson, Daniel S D; Kanchugal Puttaswamy, Sandesh; Selmer, Maria

Ingår i Biomolecules, 2022.

DOI för Structural Consequences of Deproteinating the 50S Ribosome Ladda ner fulltext (pdf) av Structural Consequences of Deproteinating the 50S Ribosome

Synthesis and in vitro biological evaluation of quinolinyl pyrimidines targeting type II NADH-dehydrogenase (NDH-2)

Lu, Lu; Åkerbladh, Linda; Ahmad, Shabbir; Konda, Vivek et al.

Ingår i ACS Infectious Diseases, s. 482-498, 2022.

DOI för Synthesis and in vitro biological evaluation of quinolinyl pyrimidines targeting type II NADH-dehydrogenase (NDH-2) Ladda ner fulltext (pdf) av Synthesis and in vitro biological evaluation of quinolinyl pyrimidines targeting type II NADH-dehydrogenase (NDH-2)

Antibacterial sulfonimidamide-based oligopeptides as type I signal peptidase inhibitors: Synthesis and biological evaluation

Benediktsdottir, Andrea; Lu, Lu; Cao, Sha; Zamaratski, Edouard et al.

Ingår i European Journal of Medicinal Chemistry, 2021.

DOI för Antibacterial sulfonimidamide-based oligopeptides as type I signal peptidase inhibitors: Synthesis and biological evaluation Ladda ner fulltext (pdf) av Antibacterial sulfonimidamide-based oligopeptides as type I signal peptidase inhibitors: Synthesis and biological evaluation

Crystal structures of human MGST2 reveal synchronized conformational changes regulating catalysis

Thulasingam, Madhuranayaki; Orellana, Laura; Nji, Emmanuel; Ahmad, Shabbir et al.

Ingår i Nature Communications, 2021.

DOI för Crystal structures of human MGST2 reveal synchronized conformational changes regulating catalysis Ladda ner fulltext (pdf) av Crystal structures of human MGST2 reveal synchronized conformational changes regulating catalysis

Journal Open Access and Plan S: Solving Problems or Shifting Burdens?

Kamerlin, Shina C. Lynn; Allen, David J.; de Bruin, Bas; Derat, Etienne et al.

Ingår i Development and Change, s. 627-650, 2021.

DOI för Journal Open Access and Plan S: Solving Problems or Shifting Burdens? Ladda ner fulltext (pdf) av Journal Open Access and Plan S: Solving Problems or Shifting Burdens?

Loop Dynamics and Enzyme Catalysis in Protein Tyrosine Phosphatases

Crean, Rory M.; Biler, Michal; van der Kamp, Marc W.; Hengge, Alvan C. et al.

Ingår i Journal of the American Chemical Society, s. 3830-3845, 2021.

DOI för Loop Dynamics and Enzyme Catalysis in Protein Tyrosine Phosphatases Ladda ner fulltext (pdf) av Loop Dynamics and Enzyme Catalysis in Protein Tyrosine Phosphatases

Structure and mechanism of a phage-encoded SAM lyase revises catalytic function of enzyme family

Guo, Xiaohu; Söderholm, Annika; Kanchugal Puttaswamy, Sandesh; Isaksen, Geir V et al.

Ingår i eLIFE, 2021.

DOI för Structure and mechanism of a phage-encoded SAM lyase revises catalytic function of enzyme family Ladda ner fulltext (pdf) av Structure and mechanism of a phage-encoded SAM lyase revises catalytic function of enzyme family

Structures and kinetics of Thermotoga maritima MetY reveal new insights into the predominant sulfurylation enzyme of bacterial methionine biosynthesis

Brewster, Jodi L.; Pachl, Petr; McKellar, James L. O.; Selmer, Maria et al.

Ingår i Journal of Biological Chemistry, 2021.

DOI för Structures and kinetics of Thermotoga maritima MetY reveal new insights into the predominant sulfurylation enzyme of bacterial methionine biosynthesis Ladda ner fulltext (pdf) av Structures and kinetics of Thermotoga maritima MetY reveal new insights into the predominant sulfurylation enzyme of bacterial methionine biosynthesis

The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout

Marcos-Torres, Francisco Javier; Maurer, Dirk; Juniar, Linda; Griese, Julia J.

Ingår i Nucleic Acids Research, 2021.

DOI för The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout Ladda ner fulltext 1 (pdf) av The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout Ladda ner fulltext 2 (pdf) av The bacterial iron sensor IdeR recognizes its DNA targets by indirect readout

Key Structural Motifs Balance Metal Binding and Oxidative Reactivity in a Heterobimetallic Mn/Fe Protein

Kisgeropoulos, Effie C.; Griese, Julia J.; Smith, Zachary R.; Branca, Rui M. M. et al.

Ingår i Journal of the American Chemical Society, s. 5338-5354, 2020.

DOI för Key Structural Motifs Balance Metal Binding and Oxidative Reactivity in a Heterobimetallic Mn/Fe Protein Ladda ner fulltext (pdf) av Key Structural Motifs Balance Metal Binding and Oxidative Reactivity in a Heterobimetallic Mn/Fe Protein

MrpH, a new class of metal-binding adhesin, requires zinc to mediate biofilm formation

Jiang, Wanghsu; Ubhayasekera, Wimal; Breed, Michael C.; Norsworthy, Allison N. et al.

Ingår i PLoS Pathogens, 2020.

DOI för MrpH, a new class of metal-binding adhesin, requires zinc to mediate biofilm formation Ladda ner fulltext (pdf) av MrpH, a new class of metal-binding adhesin, requires zinc to mediate biofilm formation

Oligomerization and characteristics of phosphoenolpyruvate carboxylase in Synechococcus PCC 7002

Durall de la Fuente, Claudia; Kanchugal Puttaswamy, Sandesh; Selmer, Maria; Lindblad, Peter

Ingår i Scientific Reports, 2020.

DOI för Oligomerization and characteristics of phosphoenolpyruvate carboxylase in Synechococcus PCC 7002 Ladda ner fulltext (pdf) av Oligomerization and characteristics of phosphoenolpyruvate carboxylase in Synechococcus PCC 7002

Screening cells for crystals: a synergistic approach

Bergfors, Terese; Majumdar, Soneya

Ingår i Journal of applied crystallography, s. 1414-1415, 2020.

DOI för Screening cells for crystals: a synergistic approach Ladda ner fulltext (pdf) av Screening cells for crystals: a synergistic approach

Structural Recognition of Spectinomycin by Resistance Enzyme ANT(9) from Enterococcus faecalis

Kanchugal Puttaswamy, Sandesh; Selmer, Maria

Ingår i Antimicrobial Agents and Chemotherapy, 2020.

DOI för Structural Recognition of Spectinomycin by Resistance Enzyme ANT(9) from Enterococcus faecalis

Structure and Characterization of Phosphoglucomutase 5 from Atlantic and Baltic Herring: An Inactive Enzyme with Intact Substrate Binding

Gustafsson, Robert; Eckhard, Ulrich; Ye, Weihua; Enbody, Erik D. et al.

Ingår i Biomolecules, 2020.

DOI för Structure and Characterization of Phosphoglucomutase 5 from Atlantic and Baltic Herring: An Inactive Enzyme with Intact Substrate Binding Ladda ner fulltext (pdf) av Structure and Characterization of Phosphoglucomutase 5 from Atlantic and Baltic Herring: An Inactive Enzyme with Intact Substrate Binding

Structure and kinetics of indole-3-glycerol phosphate synthase from Pseudomonas aeruginosa: Decarboxylation is not essential for indole formation

Söderholm, Annika; Newton, Matilda S.; Patrick, Wayne M.; Selmer, Maria

Ingår i Journal of Biological Chemistry, s. 15948-15956, 2020.

DOI för Structure and kinetics of indole-3-glycerol phosphate synthase from Pseudomonas aeruginosa: Decarboxylation is not essential for indole formation Ladda ner fulltext (pdf) av Structure and kinetics of indole-3-glycerol phosphate synthase from Pseudomonas aeruginosa: Decarboxylation is not essential for indole formation

The Bacillus anthracis class Ib ribonucleotide reductase subunit NrdF intrinsically selects manganese over iron

Grāve, Kristīne; Griese, Julia J.; Berggren, Gustav; Bennett, Matthew D. et al.

Ingår i Journal of Biological Inorganic Chemistry, s. 571-582, 2020.

DOI för The Bacillus anthracis class Ib ribonucleotide reductase subunit NrdF intrinsically selects manganese over iron Ladda ner fulltext (pdf) av The Bacillus anthracis class Ib ribonucleotide reductase subunit NrdF intrinsically selects manganese over iron

Assembly of a heterodinuclear Mn/Fe cofactor is coupled to tyrosine-valine ether cross-link formation in the R2-like ligand-binding oxidase

Griese, Julia J.; Kositzki, Ramona; Haumann, Michael; Hogbom, Martin

Ingår i Journal of Biological Inorganic Chemistry, s. 211-221, 2019.

DOI för Assembly of a heterodinuclear Mn/Fe cofactor is coupled to tyrosine-valine ether cross-link formation in the R2-like ligand-binding oxidase Ladda ner fulltext (pdf) av Assembly of a heterodinuclear Mn/Fe cofactor is coupled to tyrosine-valine ether cross-link formation in the R2-like ligand-binding oxidase

Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases

Burke, Jason R.; La Clair, James J.; Philippe, Ryan N.; Pabis, Anna et al.

Ingår i ACS Catalysis, s. 8388-8396, 2019.

DOI för Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases

Chemical flexibility of heterobimetallic Mn/Fe cofactors: R2lox and R2c proteins

Kutin, Yury; Kositzki, Ramona; Branca, Rui M.M.; Srinivas, Vivek et al.

Ingår i Journal of Biological Chemistry, s. 18372-18386, 2019.

DOI för Chemical flexibility of heterobimetallic Mn/Fe cofactors: R2lox and R2c proteins Ladda ner fulltext (pdf) av Chemical flexibility of heterobimetallic Mn/Fe cofactors: R2lox and R2c proteins

Computational physical organic chemistry using the empirical valence bond approach

Kulkarni, Yashraj; Kamerlin, Shina C. Lynn

Ingår i Advances in Physical Organic Chemistry, s. 69-104, 2019.

DOI för Computational physical organic chemistry using the empirical valence bond approach Ladda ner fulltext (pdf) av Computational physical organic chemistry using the empirical valence bond approach

Crystal structure of ErmE-23S rRNA methyltransferase in macrolide resistance

Stsiapanava, Alena; Selmer, Maria

Ingår i Scientific Reports, 2019.

DOI för Crystal structure of ErmE-23S rRNA methyltransferase in macrolide resistance Ladda ner fulltext (pdf) av Crystal structure of ErmE-23S rRNA methyltransferase in macrolide resistance

DuoMab: a novel CrossMab-based IgG-derived antibody format for enhanced antibody-dependent cell-mediated cytotoxicity

Sustmann, Claudio; Dickopf, Steffen; Regula, Jörg T.; Kettenberger, Hubert et al.

Ingår i mAbs, s. 1402-1414, 2019.

DOI för DuoMab: a novel CrossMab-based IgG-derived antibody format for enhanced antibody-dependent cell-mediated cytotoxicity Ladda ner fulltext (pdf) av DuoMab: a novel CrossMab-based IgG-derived antibody format for enhanced antibody-dependent cell-mediated cytotoxicity

Fate of oxygen species from O₂ activation at dimetal cofactors in an oxidase enzyme revealed by ⁵⁷Fe nuclear resonance X-ray scattering and quantum chemistry

Mebs, Stefan; Srinivas, Vivek; Kositzki, Ramona; Griese, Julia J. et al.

Ingår i Biochimica et Biophysica Acta - Bioenergetics, 2019.

DOI för Fate of oxygen species from O₂ activation at dimetal cofactors in an oxidase enzyme revealed by ⁵⁷Fe nuclear resonance X-ray scattering and quantum chemistry

Inhibition of translation termination by small molecules targeting ribosomal release factors

Ge, Xueliang; Oliveira, Ana; Hjort, Karin; Bergfors, Terese et al.

Ingår i Scientific Reports, 2019.

DOI för Inhibition of translation termination by small molecules targeting ribosomal release factors Ladda ner fulltext (pdf) av Inhibition of translation termination by small molecules targeting ribosomal release factors

Location-specific quantification of protein-bound metal ions by X-ray anomalous dispersion: Q-XAD

Griese, Julia J.; Högbom, Martin

Ingår i Acta Crystallographica Section D, s. 764-771, 2019.

DOI för Location-specific quantification of protein-bound metal ions by X-ray anomalous dispersion: Q-XAD Ladda ner fulltext (pdf) av Location-specific quantification of protein-bound metal ions by X-ray anomalous dispersion: Q-XAD

Redox-induced structural changes in the di-iron and di-manganese forms of Bacillus anthracis ribonucleotide reductase subunit NrdF suggest a mechanism for gating of radical access

Grāve, Kristīne; Lambert, Wietske; Berggren, Gustav; Griese, Julia J. et al.

Ingår i Journal of Biological Inorganic Chemistry, s. 849-861, 2019.

DOI för Redox-induced structural changes in the di-iron and di-manganese forms of Bacillus anthracis ribonucleotide reductase subunit NrdF suggest a mechanism for gating of radical access Ladda ner fulltext (pdf) av Redox-induced structural changes in the di-iron and di-manganese forms of Bacillus anthracis ribonucleotide reductase subunit NrdF suggest a mechanism for gating of radical access

Solving a new R2lox protein structure by microcrystal electron diffraction

Xu, Hongyi; Lebrette, Hugo; Clabbers, Max T. B.; Zhao, Jingjing et al.

Ingår i Science Advances, 2019.

DOI för Solving a new R2lox protein structure by microcrystal electron diffraction Ladda ner fulltext (pdf) av Solving a new R2lox protein structure by microcrystal electron diffraction

Structure of the N-terminal domain of Euprosthenops australis dragline silk suggests that conversion of spidroin dope to spider silk involves a conserved asymmetric dimer intermediate

Jiang, Wangshu; Askarieh, Glareh; Shkumatov, Alexander; Hedhammar, My et al.

Ingår i Acta Crystallographica Section D, s. 618-627, 2019.

DOI för Structure of the N-terminal domain of Euprosthenops australis dragline silk suggests that conversion of spidroin dope to spider silk involves a conserved asymmetric dimer intermediate

Uncovering the Role of Key Active-Site Side Chains in Catalysis: An Extended Brønsted Relationship for Substrate Deprotonation Catalyzed by Wild-Type and Variants of Triosephosphate Isomerase

Kulkarni, Yashraj; Amyes, Tina L.; Richard, John P.; Kamerlin, Shina C. Lynn

Ingår i Journal of the American Chemical Society, s. 16139-16150, 2019.

DOI för Uncovering the Role of Key Active-Site Side Chains in Catalysis: An Extended Brønsted Relationship for Substrate Deprotonation Catalyzed by Wild-Type and Variants of Triosephosphate Isomerase Ladda ner fulltext (pdf) av Uncovering the Role of Key Active-Site Side Chains in Catalysis: An Extended Brønsted Relationship for Substrate Deprotonation Catalyzed by Wild-Type and Variants of Triosephosphate Isomerase

A bacteriophage enzyme induces bacterial metabolic perturbation that confers a novel promiscuous function

Jerlström-Hultqvist, Joel; Warsi, Omar; Söderholm, Annika; Knopp, Michael et al.

Ingår i Nature Ecology & Evolution, s. 1321-1330, 2018.

DOI för A bacteriophage enzyme induces bacterial metabolic perturbation that confers a novel promiscuous function

A beta under stress: the effects of acidosis, Cu2+-binding, and oxidation on amyloid beta-peptide dimers

Liao, Qinghua; Owen, Michael C.; Bali, Sofia; Barz, Bogdan et al.

Ingår i Chemical Communications, s. 7766-7769, 2018.

DOI för A beta under stress: the effects of acidosis, Cu2+-binding, and oxidation on amyloid beta-peptide dimers

A selective class of inhibitors for the CLC-Ka chloride ion channel

Koster, Anna K.; Wood, Chase A. P.; Thomas-Tran, Rhiannon; Chavan, Tanmay S. et al.

Ingår i Proceedings of the National Academy of Sciences of the United States of America, s. E4900-E4909, 2018.

DOI för A selective class of inhibitors for the CLC-Ka chloride ion channel

Amyloid-beta Peptide Interactions with Amphiphilic Surfactants: Electrostatic and Hydrophobic Effects

Osterlund, Nicklas; Kulkarni, Yashraj S.; Misiaszek, Agata D.; Wallin, Cecilia et al.

Ingår i ACS Chemical Neuroscience, s. 1680-1692, 2018.

DOI för Amyloid-beta Peptide Interactions with Amphiphilic Surfactants: Electrostatic and Hydrophobic Effects

Boronic ester-linked macrocyclic lipopeptides as serine protease inhibitors targeting Escherichia coli type I signal peptidase

Szałaj, Natalia; Lu, Lu; Benediktsdottir, Andrea; Zamaratski, Edouard et al.

Ingår i European Journal of Medicinal Chemistry, s. 1346-1360, 2018.

DOI för Boronic ester-linked macrocyclic lipopeptides as serine protease inhibitors targeting Escherichia coli type I signal peptidase

Computer simulations of the catalytic mechanism of wild-type and mutant beta-phosphoglucomutase

Barrozo, Alexandre; Liao, Qinghua; Esguerra, Mauricio; Marloie, Gael et al.

Ingår i Organic and biomolecular chemistry, s. 2060-2073, 2018.

DOI för Computer simulations of the catalytic mechanism of wild-type and mutant beta-phosphoglucomutase Ladda ner fulltext (pdf) av Computer simulations of the catalytic mechanism of wild-type and mutant beta-phosphoglucomutase

Cooperativity and flexibility in enzyme evolution

Pabis, Anna; Risso, Valeria A.; Sanchez-Ruiz, Jose M.; Kamerlin, Shina C. Lynn

Ingår i Current opinion in structural biology, s. 83-92, 2018.

DOI för Cooperativity and flexibility in enzyme evolution Ladda ner fulltext (pdf) av Cooperativity and flexibility in enzyme evolution

Diazirine-functionalized mannosides for photoaffinity labeling: trouble with FimH

Beiroth, Femke; Koudelka, Tomas; Overath, Thorsten; Knight, Stefan D. et al.

Ingår i Beilstein Journal of Organic Chemistry, s. 1890-1900, 2018.

DOI för Diazirine-functionalized mannosides for photoaffinity labeling: trouble with FimH Ladda ner fulltext (pdf) av Diazirine-functionalized mannosides for photoaffinity labeling: trouble with FimH

Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine Oxidase

Marsavelski, Aleksandra; Petrovic, Dusan; Bauer, Paul; Vianello, Robert et al.

Ingår i ACS Omega, s. 3665-3674, 2018.

DOI för Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine Oxidase Ladda ner fulltext (pdf) av Empirical Valence Bond Simulations Suggest a Direct Hydride Transfer Mechanism for Human Diamine Oxidase

Enhancing the Steroid Sulfatase Activity of the Arylsulfatase from Pseudomonas aeruginosa

Uduwela, Dimanthi R.; Pabis, Anna; Stevenson, Bradley J.; Kamerlin, Shina C. Lynn et al.

Ingår i ACS Catalysis, s. 8902-8914, 2018.

DOI för Enhancing the Steroid Sulfatase Activity of the Arylsulfatase from Pseudomonas aeruginosa

Epoxide Hydrolysis as a Model System for Understanding Flux Through a Branched Reaction Scheme

Janfalk Carlsson, Åsa; Bauer, Paul; Dobritzsch, Doreen; Kamerlin, Shina C Lynn et al.

Ingår i IUCrJ, s. 269-282, 2018.

DOI för Epoxide Hydrolysis as a Model System for Understanding Flux Through a Branched Reaction Scheme Ladda ner fulltext (pdf) av Epoxide Hydrolysis as a Model System for Understanding Flux Through a Branched Reaction Scheme

Ether cross-link formation in the R2-like ligand-binding oxidase

Griese, Julia J.; Branca, Rui M. M.; Srinivas, Vivek; Hogbom, Martin

Ingår i Journal of Biological Inorganic Chemistry, s. 879-886, 2018.

DOI för Ether cross-link formation in the R2-like ligand-binding oxidase Ladda ner fulltext (pdf) av Ether cross-link formation in the R2-like ligand-binding oxidase

Evolution of chalcone isomerase from a noncatalytic ancestor

Kaltenbach, Miriam; Burke, Jason R.; Dindo, Mirco; Pabis, Anna et al.

Ingår i Nature Chemical Biology, s. 548-555, 2018.

DOI för Evolution of chalcone isomerase from a noncatalytic ancestor Ladda ner fulltext (pdf) av Evolution of chalcone isomerase from a noncatalytic ancestor

Pathways of Amyloid-β Aggregation Depend on Oligomer Shape

Barz, Bogdan; Liao, Qinghua; Strodel, Birgit

Ingår i Journal of the American Chemical Society, s. 319-327, 2018.

DOI för Pathways of Amyloid-β Aggregation Depend on Oligomer Shape

Q6: A comprehensive toolkit for empirical valence bond and related free energy calculations

Bauer, Paul; Barrozo, Alexandre; Purg, Miha; Amrein, Beat Anton et al.

Ingår i SoftwareX, s. 388-395, 2018.

DOI för Q6: A comprehensive toolkit for empirical valence bond and related free energy calculations Ladda ner fulltext (pdf) av Q6: A comprehensive toolkit for empirical valence bond and related free energy calculations

Reply to Caetano-Anolles et al. comment on "Empirical genome evolution models root the tree of life"

Harish, Ajith; Kurland, Charles

Ingår i Biochimie, s. 137-138, 2018.

DOI för Reply to Caetano-Anolles et al. comment on "Empirical genome evolution models root the tree of life"

Role of Ligand-Driven Conformational Changes in Enzyme Catalysis: Modeling the Reactivity of the Catalytic Cage of Triosephosphate Isomerase

Kulkarni, Yashraj S.; Liao, Qinghua; Bylehn, Fabian; Amyes, Tina L. et al.

Ingår i Journal of the American Chemical Society, s. 3854-3857, 2018.

DOI för Role of Ligand-Driven Conformational Changes in Enzyme Catalysis: Modeling the Reactivity of the Catalytic Cage of Triosephosphate Isomerase Ladda ner fulltext (pdf) av Role of Ligand-Driven Conformational Changes in Enzyme Catalysis: Modeling the Reactivity of the Catalytic Cage of Triosephosphate Isomerase

Simulation-Guided Design of Cytochrome P450 for Chemo- and Regioselective Macrocyclic Oxidation

Petrović, Dušan; Bokel, Ansgar; Allan, Matthew; Urlacher, Vlada B. et al.

Ingår i Journal of Chemical Information and Modeling, s. 848-858, 2018.

DOI för Simulation-Guided Design of Cytochrome P450 for Chemo- and Regioselective Macrocyclic Oxidation

Structural mechanism of AadA, a dual specificity aminoglycoside adenylyltransferase from Salmonella enterica

Stern, Ana Laura; Van der Verren, Sander Egbert; Kanchugal Puttaswamy, Sandesh; Näsvall, Joakim et al.

Ingår i Journal of Biological Chemistry, s. 11481-11490, 2018.

DOI för Structural mechanism of AadA, a dual specificity aminoglycoside adenylyltransferase from Salmonella enterica Ladda ner fulltext (pdf) av Structural mechanism of AadA, a dual specificity aminoglycoside adenylyltransferase from Salmonella enterica

Structures of two fimbrial adhesins, AtfE and UcaD, from the uropathogen Proteus mirabilis

Jiang, Wangshu; Ubhayasekera, Wimal; Pearson, Melanie M.; Knight, Stefan D.

Ingår i Acta Crystallographica Section D, s. 1053-1062, 2018.

DOI för Structures of two fimbrial adhesins, AtfE and UcaD, from the uropathogen Proteus mirabilis

Extending the Nonbonded Cationic Dummy Model to Account for Ion-Induced Dipole Interactions

Liao, Qinghua; Pabis, Anna; Strodel, Birgit; Kamerlin, Shina Caroline Lynn

Ingår i Journal of Physical Chemistry Letters, s. 5408-5414, 2017.

DOI för Extending the Nonbonded Cationic Dummy Model to Account for Ion-Induced Dipole Interactions Ladda ner fulltext (pdf) av Extending the Nonbonded Cationic Dummy Model to Account for Ion-Induced Dipole Interactions

Mitochondria are not captive bacteria

Harish, Ajith; Kurland, Charles G.

Ingår i Journal of Theoretical Biology, s. 88-98, 2017.

DOI för Mitochondria are not captive bacteria

Stereoselectivity in Catalyzed Transformation of a 1,2-Disubstituted Vicinal Diol and the Corresponding Diketone by Wild Type and Laboratory Evolved Alcohol Dehydrogenases

Maurer, Dirk; Enugala, Thilak Reddy; Hamnevik, Emil; Bauer, Paul et al.