Publications [LaTeX]
Books
Chapters of Books
1 - Modeling Soft Supramolecular Nanostructures by Molecular Simulations
Tânia F. Cova, Sandra C. Nunes, Bruce F. Milne, Andreia F. Jorge, Alberto C. Pais
Molecular Dynamics (2018)
Papers
International Journals
2 - SARS-CoV-2 Spike Protein-Derived Cyclic Peptides as Modulators of Spike Interaction with GRP78
N. Johnson, C. Pattinson, K. Burgoyne, K. Hijazi, W. Houssen, B.F. Milne
ChemBioChem 25 (12) (2024)
3 - Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors
COVID Moonshot Consortium, Bruce F. Milne
Science 382, eabo7201 (2023)
4 - Antiparasitic Activities of Compounds Isolated from Aspergillus fumigatus Strain Discovered in Northcentral Nigeria
OA Diyaolu, G Preet, AA Fagbemi, F Annang, G Perez-Moreno, C Bosch-Navarrete, OO Adebisi, ET Oluwabusola, BF Milne, M Jaspars, R Ebel
Antibiotics 12(1), 109 (2023)
5 - Arabinofuranosyl Thymine Derivatives-Potential Candidates against Cowpox Virus: A Computational Screening Study
AH Hasan, G Preet, BF Milne, R Ebel, M Jaspars
Int. J. Mol. Sci. 24(2), 1751 (2023)
6 - First-principles study of electronic and optical properties in 1-dimensional oligomeric derivatives of telomestatin
Joëlle Mérgola-Greef, Bruce F. Milne
Phys. Chem. Chem. Phys. 25, 12744 (2023)
7 - Computational Repurposing of Mitoxantrone-Related Structures against Monkeypox Virus: A Molecular Docking and 3D Pharmacophore Study
Gagan Preet, Emmanuel T. Oluwabusola, Bruce F. Milne, Rainer Ebel, Marcel Jaspars
Int. J. Mol. Sci. 23, 14287 (2022)
8 - SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids
Jitske Jansen, ..., Bruce F. Milne, ..., et al
Cell Stem Cell 29, 217-231 (2022)
9 - Mutactimycin AP, a New Mutactimycin Isolated from an Actinobacteria from the Atacama Desert.
Rishi V. Astakala, Gagan Preet, Bruce F. Milne, Julius Tibyangye, Valeria Razmilic, Jean Franco Castro, Juan A. Asenjo, Barbara Andrews, Rainer Ebel, Marcel Jaspars
Molecules 27, 7185 (2022)
10 - A ribosomally synthesised and post-translationally modified peptide containing a β-enamino acid and a macrocyclic motif
Shan Wang, Sixing Lin, Qing Fang, Roland Gyampoh, Zhou Lu, Yingli Gao, David J. Clarke, Kewen Wu, Laurent Trembleau, Yi Yu, Kwaku Kyeremeh, Bruce F. Milne, Jioji Tabudravu, Hai Deng
Nat. Commun. 13, 1-15 (2022)
11 - First-principles characterisation of spectroscopic and bonding properties of cationic bismuth carbide clusters
Diogo A. F. Almeida, Micael J. T. Oliveira, Bruce F. Milne
Comput. Theor. Chem. 1204, 113372 (2021)
12 - Synthesis, Characterization and Evaluation of the Antibacterial and Antitumor Activity of HalogenatedSalen Copper (II) Complexes derived from Camphoric Acid
Ana S. Pires, João Batista, Dina Murtinho, Célia Nogueira, Anna Karamysheva, M. Luísa Ramos, Bruce F. Milne, Nuno T. Tavares, José Gonçalves, Ana C. Gonçalves, Ana M. Abrantes, Rui Soares, Teresa Gonçalves, Maria F. Botelho, M. Elisa Silva Serra
Applied Organometallic Chemistry, e5569 (2020)
13 - COVID Moonshot: Open Science Discovery of SARS-CoV-2 Main Protease Inhibitors by Combining Crowdsourcing, High-Throughput Experiments, Computational Simulations, and Machine Learning
Bruce F. Milne, See full list of authors at https://tinyurl.com/y3r7redd
bioRxiv 2020.10.29.339317, 2020.10.29.339317 (2020)
14 - Field-dependent electrical properties of carbon nanotubes from first-principles: negative differential conductance, current oscillations and molecular sensing
Jaime Silva, B. F. Milne, F. Nogueira
J. Phys.-Condes. Matter 32, 135502 (2020)
15 - On the Single Wall Carbon Nanotube Surface Plasmon Stability
Jaime Silva, B. F. Milne, F. Nogueira
EPJ Web Conf. 233, 05009 (2020)
16 - Structure-Based Design, Synthesis and Bioactivity of a New Anti-TNFα Cyclopeptide
Mohannad Idress, Bruce F. Milne, Gary S. Thompson, Laurent Trembleau, Marcel Jaspars, Wael E. Houssen
Molecules 25, 922 (2020)
17 - Optical excitations of chlorophyll a and b monomers and dimers
María R. Preciado-Rivas, Duncan J. Mowbray, Keenan Lyon, Ask Hjorth Larsen, Bruce F. Milne
J. Chem. Phys. 151, 174102 (2019)
18 - LC-HRMS-Database Screening Metrics for Rapid Prioritization of Samples to Accelerate the Discovery of Structurally New Natural Products
JN Tabudravu, L Pellissier, AJ Smith, K Subko, C Autreau, K Feussner, D Hardy, D Butler, R Kidd, EJ Milton, H Deng, R Ebel, M Salonna, C Gissi, F Montesanto, SM Kelly, BF Milne, G Cimpan, M Jaspars
J. Nat. Prod. 82(2), 211-220 (2019)
19 - Host flexibility and space filling in supramolecular complexation of cyclodextrins: A free-energy-oriented approach.
Tânia F. Cova, Bruce F. Milne, Alberto A. C. C. Pais
Carbohydr. Polym. 205, 42-54 (2019)
20 - Theoretical Investigation of Single Molecule Sensing Using Nanotube-Enhanced Circular Dichroism
Jaime Silva, Bruce F. Milne, Ferrnando Nogueira
J. Phys. Chem. A 122, 5666-5670 (2018)
21 - Chiral thiazolidines in the enantioselective ethylation of aldehydes: An experimental and computational study.
Nélia C.T. Tavares, César T. Neves, Bruce F. Milne, Dina Murtinho, Alberto A.C.C. Pais, M. Elisa Silva Serra
Journal of Organometallic Chemistry 878, 1-10 (2018)
22 - Different molecular conformations in the crystal structures of three 5-nitroimidazolyl derivatives
LFB Osorio, SA Carvalho, EF da Silva, CAM Fraga, SMSV Wardell, Bruce F. Milne, JL Wardell, WTA Harrison
Acta Crystallogr. E 74, 380 (2018)
23 - Drastic Stabilization of Junction Nodes in Supramolecular Structures Based on Host–Guest Complexes.
Tânia F. G. G. Cova, Bruce F. Milne, Sandra C. C. Nunes, Alberto A. C. C. Pais
Macromolecules 51, 2732-2741 (2018)
24 - On the Exciton Coupling between Two Chlorophyll Pigments in the Absence of a Protein Environment: Intrinsic Effects Revealed by Theory and Experiment
BF Milne, C Kjaer, J Houmoller, MH Stockett, Y Toker, A Rubio, SB Nielsen
Angew. Chem. Int. Ed. 55(21), 6248-6251 (2016)
25 - Structural, magnetic and optical properties of two concomitant molecular crystals
MR Silva, Bruce F. Milne, JT Coutinho, LCJ Pereira, P Martin-Ramos, PSP da Silva, J Martin-Gil
Solid State Sci. 53, 37-43 (2016)
26 - Resonant-Convergent PCM Response Theory for the Calculation of Second Harmonic Generation in Makaluvamines A-V; Pyrroloiminoquinone Marine Natural Products from Poriferans of Genus Zyzzya
Bruce F. Milne, Patrick Norman
Journal of Physical Chemistry A (2015)
27 - Insights into colour-tuning of chlorophyll optical response in green plants
J. Jornet-Somoza, J. Alberdi-Rodriguez, Bruce F. Milne, X. Andrade, M.A.L. Marques, F. Nogueira, M.J.T. Oliveira, J.J.P. Stewart, A. Rubio
Phys. Chem. Chem. Phys. 17, 26599-26606 (2015)
28 - Synthesis, structure, theoretical studies and luminescent properties of a ternary erbium(III) complex with acetylacetone and bathophenanthroline ligands
Pablo Martín-Ramos, Pedro S. Pereira Silva, Pedro Chamorro-Posada, Manuela Ramos Silva, Bruce F. Milne, Fernando Nogueira, Jesús Martín-Gil
Journal of Luminescence 162, 42-49 (2015)
29 - Enhancement of nonlinear optical properties in late group 15 tetrasubstituted cubanes
Bruce F. Milne
Dalton Transactions 43, 6333-6338 (2014)
30 - Red-shifting the optical response of firefly oxyluciferin with group 15/16 substitutions.
Bruce F. Milne
Physical Chemistry Chemical Physics 16, 24971-24977 (2014)
31 - Unraveling the Intrinsic Color of Chlorophyl
Bruce F. Milne, Yoni Toker, Angel Rubio, Steen Brøndsted Nielsen
Angewandte Chemie International Edition (2014)
32 - Structures of Two Rotamers of the HCl Salt of 4-Methyl-2-[(1E)-[2-(quinolin-4-yl)hydrazin-1-ylidene]methyl]phenol: Different Supramolecular Arrays
Marcelle de Lima Ferreira, Bruce F. Milne, Marcus V. N. de Souza, Edward R. T. Tiekink, James L. Wardell and Solange M. S. V. Wardell
Journal of Chemical Crystallography 44, 36-41 (2014)
33 - Photoinduced dissociation mass spectroscopy of firefly oxyluciferin anions
Marianne Winkler Jensen, Kristian Støchkel, Christina Kjær, Jeppe Langeland Knudsen, Oleg V. Maltsev, Lukas Hintermann, Pance Naumov, Bruce F. Milne, Steen Brøndsted Nielsen
International Journal of Mass Spectrometry, 365-366 (2014)
34 - Theoretical study of heavy-atom tuning of nonlinear optical properties in group 15 derivatives of N,N,N-trimethylglycine (betaine)
Bruce F. Milne, Fernando Nogueira and Cláudia Cardoso
Dalton Transactions 42, 3695-3703 (2013)
35 - Marine natural products from the deep Pacific as potential non-linear optical chromophores
Bruce F. Milne, Patrick Norman, Fernando Nogueira and Cláudia Cardoso
Phys. Chem. Chem. Phys. 15, 14814-14822 (2013)
36 - On the influence of water on the electronic structure of firefly oxyluciferin anions from absorption spectroscopy of bare and monohydrated ions in vacuo
Kristian Støchkel, ChristianHansen, Jørgen Houmøller, Lisbeth Nielsen, Kelvin Anggara, Mathieu Linares, Patrick Norman, Fernando Nogueira, Oleg Maltsev, Lukas Hintermann, Steen Brøndsted Nielsen, Pance Naumov, Bruce F. Milne
J. Am. Chem. Soc. 135, 6485-6493 (2013)
37 - Absorption Spectrum of the Firefly Luciferin Anion Isolated in Vacuo
Kristian Støchkel, Bruce F. Milne, and Steen Brøndsted Nielsen
Journal of Physical Chemistry A 115 (11), 2155-2159 (2011)
38 - Fragment molecular orbital investigation of the role of AMP protonation in firefly luciferase pH-sensitivity
Bruce F. Milne, Miguel A. L. Marques and Fernando Nogueira
Physical Chemistry Chemical Physics 12, 14285-14293 (2010)
39 - Computational Study of Molecules with High Intrinsic Hyperpolarizabilities
Cláudia Cardoso, Paulo E. Abreu, Bruce F. Milne and Fernando Nogueira
The Journal of Physical Chemistry A 114 (39), 10676-10683 (2010)
40 - Bioheterojunction Effect on Fluorescence Origin and Efficiency Improvement of Firefly Chromophores
Duanjun Cai, Miguel A. L. Marques, Bruce F. Milne and Fernando Nogueira
The Journal of Physical Chemistry Letters 1 (19), 2781-2787 (2010)
41 - Synoxazolidinones A and B: Novel Bioactive Alkaloids from
the Ascidian Synoicum pulmonaria.
Margey Tadesse, Morten B. Strøm, Johan Svenson, Marcel Jaspars, Bruce F. Milne, Veronika Tørfoss, Jeanette H. Andersen, Espen Hansen, Klara Stensvåg, and Tor Haug
Organic Letters 12, 4752-4755 (2010)
42 - Dermacozines, a new phenazine family from deep-sea dermacocci isolated from a Mariana Trench sediment
Wael M. Abdel-Mageed, Bruce F. Milne, Marcell Wagner, Marc Schumacher, Peter Sandor, Wasu Pathom-aree, Michael Goodfellow, Alan T. Bull, Koki Horikoshi, Rainer Ebel, Marc Diederich, Hans-Peter Fiedler and Marcel Jaspars
Organic & Biomolecular Chemistry 8, 2352-2362 (2010)
43 - Experimental and ab initio structural study of estertin compounds,X3SnCH2CH2CO2Me: crystal structures of Cl3SnCH2CH2CO2Me at 120 K and Br3SnCH2CH2CO2Me at 120 and 291K
Geraldo M. de Lima, Bruce F. Milne, Robson P. Pereira, Ana Maria Rocco, Janet M.S. Skakle, Anthony J. Travis, James L. Wardell and Solange M.S.V. Wardell
Journal of Molecular Structure 921, 244-250 (2009)
44 - Investigation into mercury bound to biothiols: structural identification using ESIion-trap MS and introduction of a method for their HPLC separation with simultaneous detection by ICP-MS and ESI-MS
E. Krupp, B. Milne, A. Mestrot, A. Meharg, and J. Feldmann
Analytical and Bioanalytical Chemistry 390, 1753-1764 (2008)
45 - Density functional theory studies of oxygen and carbonate binding to a dicopper patellamide complex
Reza Latifi, Mojtaba Bagherzadeh, Bruce F. Milne, Marcel Jaspars and Sam P. de Visser
Journal of Inorganic Biochemistry 102, 2171-2178 (2008)
46 - Marine Metabolites and Metal Ion Chelation: Intact Recovery and Identification of an Iron(II) Complex in the Extract of the Ascidian Eudistoma gilboviride
S. Wright, Andrea Raab, Jioji N. Tabudravu, Jörg Feldmann, Paul F. Long, Christopher N. Battershill, Walter C. Dunlap, Bruce F. Milne, and Marcel Jaspars
Angewandte Chemie International Edition 47, 8090-8092 (2008)
47 - Hydride generation activity of arsenosugars and thioarsenicals
R. Regmi, B. Milne, and J. Feldmann
Analytical and Bioanalytical Chemistry 388, 775-782 (2007)
48 - Spontaneity in the patellamide biosynthetic pathway
B. F. Milne, P. F. Long, A. Starcevic, D. Hranueli, and M. Jaspars
Organic and Biomolecular Chemistry 4, 631-638 (2006)
49 - Experimental and ab initio structural study of the ketotin compounds, X3SnCR2CH2COMe: crystal structures of X3SnCMe2CH2COMe (X = Cl and I)
B. F. Milne, R. P. Pereira, A. M. Rocco, J. M. S. Skakle, A. J. Travis, J. L. Wardell, and S. M. S. V. Wardell
Applied Organometallic Chemistry 19, 363-371 (2005)
50 - Conformational studies of free and Li+ complexed jasplakinolide, a cyclic depsipeptide from the Fijian marine sponge Jaspis splendens.
J. Tabudravu, L. Morris, B. Milne, and M. Jaspars
Organic and Biomolecular Chemistry 3, 745-749 (2005)
51 - A theoretical study of tetrabutylammonium [bis(1,3-dithiole-2-thione-4,5-dithiolato)bismuthate], [NBu4][Bi(dmit)2]: infrared spectrum in the solid state and solvation effects on the molecular geometry
A. M. Rocco, R. P. Pereira, J. A. P. Bonapace, N. M. Comerlato, J. L. Wardell, B. F. Milne, and S. M. S. V. Wardell
Inorganica Chimica Acta 357, 1047-1053 (2004)
52 - Sulfur-containing arsenical mistaken for dimethylarsinous acid [DMA(III)] and identified as a natural metabolite in urine: major implications for studies on arsenic metabolism and toxicity.
H. Hansen, A. Raab, M. Jaspars, B. Milne, and J. Feldmann
Chemical Research in Toxicology 17, 1086-1091 (2004)
53 - Conformational change in the thiazole and oxazoline containing cyclic octapeptides, the patellamides. Part 2. Solvent dependent conformational change
B. F. Milne, L. A. Morris, M. Jaspars, and G. S. Thompson
Journal of the Chemical Society-Perkin Transactions 2, 1076-1080 (2002)
54 - Derivatives of N,N-bis[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ethanediamide
J. N. Low, B. F. Milne, J. N. Ross, and J. L. Wardell
Journal of the Brazilian Chemical Society 13, 207-217 (2002)
55 - Conformational change in the thiazole and oxazoline containing cyclic octapeptides, the patellamides. Part 1. Cu2+ and Zn2+ induced conformational change
L. A. Morris, B. F. Milne, G. S. Thompson, and M. Jaspars
Journal of the Chemical Society-Perkin Transactions 2, 1072-1075 (2002)
56 - Metal binding of Lissoclinum patella metabolites. Part 2: Lissoclinamides 9 and 10
L. A. Morris, B. F. Milne, M. Jaspars, J. J. Kettenes-van den Bosch, K. Versluis, A. J. R. Heck, S. M. Kelly, and N. C. Price
Tetrahedron 57, 3199-3207 (2001)
57 - Analysis of the structure and electrophysiological actions of halitoxins: 1,3 alkyl-pyridinium salts from Callyspongia ridleyi
R. H. Scott, A. D. Whyment, A. Foster, K. H. Gordon, B. F. Milne, and M. Jaspars
Journal of Membrane Biology 176, 119-131 (2000)
58 - Crystallographic and molecular mechanics investigation of an order-disorder transition and dimorphism in 5H,10H- dithiolo[2,3-b]-2,5-benzodithiocine-2-thione
Z. H. Chohan, W. T. A. Harrison, R. A. Howie, B. F. Milne, and J. L. Wardell
Acta Crystallographica Section B-Structural Science 56, 1011-1017 (2000)
Proceedings
International Conferences
59 - MS Dereplication for Rapid Discovery of Structurally New or Novel Natural Products.
Jioji Tabudravu, Leonie Pellissier, Alan James Smith, Richard Kid, Edward J. Milton, Hai Deng, Rainer Ebel, Carmela Gissi, Bruce F. Milne
Marine Drugs 18, 56-57 (2020)
Communications
Invited
60 - Real-space (TD)DFT methods: from biology to materials
Bruce F. Milne
University of Aberdeen - Chemistry Departmental Seminar, Aberdeen, Scotland, 23 March 2023. (2023)
61 - Virtual and Experimental Screening of Natural Products as Potential SARS-CoV-2 Inhibitors: Preliminary Results and Future Directions
Bruce F. Milne
Invited seminar at the Centre for Smart Materials Research, University of Central Lancashire, UK. 18 November 2020. (2020)
Oral
62 - Investigation of colour tuning in firefly bioluminescence
Bruce F. Milne
DFT@PT, Coimbra (http://www.tddft.org/DFT@PT/) (2011)
63 - Investigation of colour tuning in firefly bioluminescence
Bruce F. Milne
Café com Física, Department of Physics, University of Coimbra (2011)
64 - Nonlinear optical properties of polychlorotriphenylmethyl radicals: a computational study
Cláudia Cardoso, Bruce Forbes Milne, Fernando Nogueira
March meeting of the American Physical Society, Dallas TX, USA, March 21-25 (2011)
65 - Firefly Bioluminescence
Milne B.F.
Departmental seminar. Department of Physics, University of Coimbra (2009)
66 - Time-Dependent DFT for Elucidation of Stereochemistry: Dermacozine E, a Natural Product from the Mariana Trench (Flash presentation)
Milne B.F., Abdel-Mageed W.M., Jaspars M.
Natural Products Symposium, 42nd IUPAC Congress, Glasgow, Scotland (2009)
67 - Fragment Molecular Orbital Studies of Luciferase from the Japanese Firefly Luciola cruciata (Flash presentation)
Milne B.F., Marques M.A.L. and Nogueira F.
Computational Nanoscience (MC9) Symposium, 42nd IUPAC Congress, Glasgow, Scotland (2009)
68 - Theoretical Approaches to Understanding the Properties and Behaviour of Organo-Arsenic Compounds
Milne B.F.
Departmental seminar. Department of Physics, University of Coimbra (2008)
69 - Two Parameter Classifier for Prediction of PKC-ζ Modulating Behaviour of Xanthones
Milne B.F.
7th Portuguese National Meeting of Organic Chemistry (ORGLIST Symposium: Computers at the Frontiers of Organic Chemistry), Lisbon, Portugal (2007)
Poster
70 - First-principles study of electronic and optical properties in 1-dimensional oligomeric derivatives of telomestatin
Joëlle Mérgola-Greef, Bruce F. Milne
Sociedade Portuguesa de Química, 15º Encontro Nacional de Química Física, online. (2023)
71 - Heavy atom NLO enhancement in group 15 organometallics
Bruce F. Milne
20th EuCHeMS conference on organometallic chemistry, St. Andrews, Scotland, UK (2013)
72 - Marine natural products: a new source of novel chromophores for nonlinear optics
Bruce F. Milne, Cláudia Cardoso, Marcel Jaspars, Fernando Nogueira
Gordon Research Conference - Marine Natural Products, Ventura, CA, USA (2012)
73 - Antiferromagnetic Exchange interaction in a Cu(II) alternated chain
Manuela Ramos Silva, Pedro Sidónio Silva, Bruce Milne, Laura Pereira, José António Paixão
IUCR2012, Bergen, Noruega, Agosto 2012 (2012)
74 - Gas phase spectroscopy of the firefly luciferin anion: comparison of experiment with TDDFT predictions
Bruce F. Milne, Kristian Støchkel, Steen Brønsted Nielsen and Fernando Nogueira
Faraday Discussions 150 "Frontiers in Spectroscopy", Basel, Switzerland (2011)
75 - Spectroscopic and TD-DFT studies of solvent effects on the firefly luciferin anion. 2. Binary water:methanol solvents
Bruce F. Milne, Pedro J. Cruz, Rui M. M. Brito
First Principles Quantum Chemistry: from Elementary Reactions to Enzymes. Bad Herrenalb, Germany (2010)
76 - Spectroscopic and TD-DFT studies of solvent effects on the firefly luciferin anion. 1. Gas and aqueous phases
Bruce F. Milne, Pedro J. Cruz, Rui M. M. Brito, Kristian Støchkel, Steen B. Nielsen
First Principles Quantum Chemistry: from Elementary Reactions to Enzymes. Bad Herrenalb, Germany (2010)
77 - Bio-HeteroJunction Effect Origin and Efficiency Improvement of Firefly Chromophores
Duan J. Cai, Miguel A. L. Marques , Bruce F. Milne, Fernando Nogueira
Gordon Research Conference on Time-Dependent Density Functional Theory, Colby-Sawyer College, New London, NH, USA (2009)
78 - Time-Dependent DFT for Elucidation of Stereochemistry: Dermacozine E, a Natural Product from the Mariana Trench
Milne B.F., Abdel-Mageed M.W., Jaspars M.
14th ETSF Workshop on Electronic Excitations, Evora, Portugal (2009)
79 - Time-Dependent DFT for Elucidation of Stereochemistry: Dermacozine E, a Natural Product from the Mariana Trench
Milne B.F., Abdel-Mageed W.M., Jaspars M.
Natural Products Symposium, 42nd IUPAC Congress, Glasgow, Scotland (2009)
80 - Fragment Molecular Orbital Studies of Luciferase from the Japanese Firefly Luciola cruciata
Milne B.F., Marques M.A.L. and Nogueira F.
Gordon Research Conference on Time-Dependent Density Functional Theory, Colby-Sawyer College, New London, NH, USA (2009)
81 - Fragment Molecular Orbital Studies of Luciferase from the Japanese Firefly Luciola cruciata
Milne B.F., Marques M.A.L. and Nogueira F.
Computational Nanoscience (MC9) Symposium, 42nd IUPAC Congress, Glasgow, Scotland (2009)
82 - Fragment Molecular Orbital Studies of Luciferase from the Japanese Firefly Luciola cruciata
Milne B.F., Marques M.A.L., Nogueira F.
14th ETSF Workshop on Electronic Excitations, Evora, Portugal (2009)
83 - New Heteroatomatic Compounds from the Deep
Abdel-Mageed M.W., Jaspars M., Goodfellow M., Bull A., Horikoshi K., Milne B.F.
7th Joint Meeting of AFERP, ASP, GA, PSE & SIF, Athens, Greece (2008)
84 - Metal-Chelation in Ascidians: The Direct Identification of a Eudistomin-Iron Complex in Eudistoma gilboviride Extract Using Parallel LC-ICPMS/ESMS
Wright S.H., Raab A., Tabudravu J.N., Feldmann J., Long P.F., Battershill C.N., Dunlap W.C., Milne B.F., Jaspars M.
Gordon Research Conference Marine Natural Products, Ventura, California, USA (2008)
85 - Determination of Mercury Binding Molecules using HPLC Coupled Simultaneously to ICP-MS and ES-MS
Krupp E.M., Milne B.F., Blümlein K., Meharg A.A., Feldmann J.
European Winter conference on Plasma Spectrochemistry, Taormina, Sicily (2007)
86 - Computational Design of Xanthone Derivatives Showing Enhanced Binding Affinity for Estrone Sulphatase
Milne B.F., Palmeira A., Sousa E., Pinto M.M.M.
7th Portuguese National Meeting of Organic Chemistry (ORGLIST Symposium: Computers at the Frontiers of Organic Chemistry), Lisbon, Portugal (2007)
87 - Computational Investigation of the Mechanism of Modulation of Protein Kinase C Activity by Xanthone Derivatives
Milne B.F., Pinto M.M.M.
The 3rd Brazilian Symposium on Medicinal Chemistry BrazMedChem2006, São Pedro, Brazil (2006)
88 - Potential Ecological Roles of Lissoclinum patella Metabolites
Marcel Jaspars, Linda A. Morris, Bruce F. Milne, J. Jantien Kettenes van den Bosch, Kees Versluis and Gary S. Thompson
Gordon Research Conference on Inorganic Reaction Mechanisms in Ventura, California, USA (2001)
89 - H-Bond Mediated Folding of Natural & Model Patellamides - Modified Cyclic Octapeptides from Lissoclinum Patella
Bruce F. Milne, Linda A. Morris and Marcel Jaspars
Gordon Research Conference on Marine Natural Products in Ventura, California, USA (2000)
90 - Redox Properties of the Patellamides: Dicopper Complexing Modified Cyclic Octapeptides Isolated from the Seasquirt Lissoclinum patella
Marcel Jaspars, Linda A. Morris, Bruce F. Milne, Peter K. J. Robertson and David J. K. Tait
International Conference on Coordination Chemistry, Edinburgh, Scotland, UK (2000)
91 - Conformational Studies on Free and Cu(II) Bound Patellamide C
Linda A. Morris, Bruce F. Milne and Marcel Jaspars
2nd Euroconference on Marine Natural Products, Santiago de Compostela, Spain (1999)
92 - Conformational Studies on Free and Cu(II) Bound Patellamide C
Linda A. Morris, Bruce F. Milne and Marcel Jaspars
Biodiversity: A Source of New Leads for the Pharmaceutical and Agrochemical Industries, St. Andrews, Scotland, UK (1999)
Software
93 - pyBOILEDegg: a program to predict absorption/distribution characteristics of molecules in the human body through likelihood of gastrointestinal absorption and ability to cross the blood-brain-barrier.
Bruce F. Milne
(2021)
Thesis
94 - Theoretical studies of cyclic octapeptides from the marine ascidian Lissoclinum patella
Bruce F. Milne
(2002)
95 - Development of a Synthetic Route to Oligomeric 1,3-Alkylpyridinium Salts
Bruce F. Milne
(1998)
Thesis supervised
- Analysis of Non-Covalent Interactions in General Classes of Materials Using a Real-Space Charge Density Approach
Diogo A. F. Almeida
MSc thesis, (2020)