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2024
Mark Using residue interaction networks to understand protein function and evolution and to engineer new proteins
Yehorova, Dariia ; Di Geronimo, Bruno ; Robinson, Michael ; Kasson, Peter M and Kamerlin, Shina C L (2024) In Current Opinion in Structural Biology 89.
- Contribution to journal › Scientific review
Mark Key interaction networks : Identifying evolutionarily conserved non-covalent interaction networks across protein families
Yehorova, Dariia ; Crean, Rory M ; Kasson, Peter M and Kamerlin, Shina C L ^LU (2024) In Protein Science 33(3).
- Contribution to journal › Article
2023
Mark KIF-Key Interactions Finder : A program to identify the key molecular interactions that regulate protein conformational changes
Crean, Rory M ; Slusky, Joanna S G ; Kasson, Peter M and Kamerlin, Shina Caroline Lynn ^LU (2023) In The Journal of chemical physics 158(14).
- Contribution to journal › Article
2021
Mark System-wide identification and prioritization of enzyme substrates by thermal analysis
Saei, Amir Ata ; Beusch, Christian M ; Sabatier, Pierre ; Wells, Juan Astorga ; Gharibi, Hassan ; Meng, Zhaowei ; Chernobrovkin, Alexey ; Rodin, Sergey ; Näreoja, Katja and Thorsell, Ann-Gerd , et al. (2021) In Nature Communications 12(1).
- Contribution to journal › Article
2020
Mark Engineering Af1521 improves ADP-ribose binding and identification of ADP-ribosylated proteins
Nowak, Kathrin ; Rosenthal, Florian ; Karlberg, Tobias ^LU ; Bütepage, Mareike ; Thorsell, Ann-Gerd ; Dreier, Birgit ; Grossmann, Jonas ; Sobek, Jens ; Imhof, Ralph and Lüscher, Bernhard , et al. (2020) In Nature Communications 11(1).
- Contribution to journal › Article
2018
Mark Many-body interactions between charged particles in a polymer solution : the protein regime
Wang, Haiqiang ; Forsman, Jan ^LU and Woodward, Clifford E (2018) In Soft Matter 14(20). p.4064-4073
- Contribution to journal › Article
2016
Mark Increasing the Net Negative Charge by Replacement of DOTA Chelator with DOTAGA Improves the Biodistribution of Radiolabeled Second-Generation Synthetic Affibody Molecules
Westerlund, Kristina ; Honarvar, Hadis ; Norrström, Emily ; Strand, Joanna ^LU ; Mitran, Bogdan ; Orlova, Anna ; Eriksson Karlström, Amelie and Tolmachev, Vladimir (2016) In Molecular Pharmaceutics 13(5). p.1668-1678
- Contribution to journal › Article
2015
Mark Recent advances in QM/MM free energy calculations using reference potentials
Duarte, Fernanda ; Amrein, Beat A ; Blaha-Nelson, David and Kamerlin, Shina C L ^LU (2015) In Biochimica et Biophysica Acta 1850(5). p.954-965
- Contribution to journal › Scientific review
2009
Mark Structure-function study of cathelicidin-derived bovine antimicrobial peptide BMAP-28 : design of its cell-selective analogs by amino acid substitutions in the heptad repeat sequences
Ahmad, Aqeel ; Asthana, Neeta ; Azmi, Sarfuddin ; Srivastava, Raghvendra M ; Pandey, Brijesh K ; Yadav, Vikas ^LU and Ghosh, Jimut Kanti (2009) In Biochimica et Biophysica Acta 1788(11). p.20-2411
- Contribution to journal › Article
Mark Progress in ab initio QM/MM free-energy simulations of electrostatic energies in proteins : accelerated QM/MM studies of pK_a, redox reactions and solvation free energies
Kamerlin, Shina C L ^LU ; Haranczyk, Maciej and Warshel, Arieh (2009) In The Journal of Physical Chemistry Part B 113(5). p.72-1253
- Contribution to journal › Scientific review

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