Curcumin inhibits the primary nucleation of amyloid-beta peptide: A molecular dynamics study I Doytchinova, M Atanasova, E Salamanova, S Ivanov, I Dimitrov Biomolecules 10 (9), 1323, 2020 | 51 | 2020 |
Galantamine-curcumin hybrids as dual-site binding acetylcholinesterase inhibitors G Stavrakov, I Philipova, A Lukarski, M Atanasova, D Zheleva, ... Molecules 25 (15), 3341, 2020 | 36 | 2020 |
Cellular polyamines condense hyperphosphorylated Tau, triggering Alzheimer’s disease SM Ivanov, M Atanasova, I Dimitrov, IA Doytchinova Scientific reports 10 (1), 10098, 2020 | 20 | 2020 |
Virtual screening and hit selection of natural compounds as acetylcholinesterase inhibitors M Atanasova, I Dimitrov, S Ivanov, B Georgiev, S Berkov, ... Molecules 27 (10), 3139, 2022 | 17 | 2022 |
Energetics and dynamics across the Bcl-2-regulated apoptotic pathway reveal distinct evolutionary determinants of specificity and affinity SM Ivanov, RG Huber, J Warwicker, PJ Bond Structure 24 (11), 2024-2033, 2016 | 17 | 2016 |
Protein-protein interactions in paralogues: Electrostatics modulates specificity on a conserved steric scaffold SM Ivanov, A Cawley, RG Huber, PJ Bond, J Warwicker PLoS One 12 (10), e0185928, 2017 | 11 | 2017 |
Bridging solvent molecules mediate RNase A–Ligand binding SM Ivanov, I Dimitrov, IA Doytchinova PLoS One 14 (10), e0224271, 2019 | 10 | 2019 |
Energetic fingerprinting of ligand binding to paralogous proteins: the case of the apoptotic pathway SM Ivanov, RG Huber, I Alibay, J Warwicker, PJ Bond Journal of Chemical Information and Modeling 59 (1), 245-261, 2018 | 7 | 2018 |
Quantitative prediction of peptide binding to HLA-DP1 protein S Ivanov, I Dimitrov, I Doytchinova IEEE/ACM Transactions on Computational Biology and Bioinformatics 10 (3 …, 2013 | 6 | 2013 |
Calculated hydration free energies become less accurate with increases in molecular weight SM Ivanov PLoS One 19 (9), e0309996, 2024 | 1 | 2024 |
Molecular Dynamics Simulations of Acetylcholinesterase–Beta-Amyloid Peptide Complex M Atanasova, I Dimitrov, S Ivanov Cybernetics and Information Technologies 20 (6), 140-154, 2020 | 1 | 2020 |
Immunoinformatic Analysis of Human Thyroglobulin I Doytchinova, A Tchorbanov, S Ivanov Cybernetics and Information Technologies 20 (6), 194-200, 2020 | 1 | 2020 |
Biophysical Basis of KDEL Receptor-Lipid Interactions in Secretory Signaling A Rehman, A Altieri, W Yu, SM Ivanov, BG Pierce, AD MacKerell, ... Biophysical Journal 120 (3), 210a-211a, 2021 | | 2021 |