Staff

Skenteris NT, Luttermann E, Nair S, Evangelakos I, Pujantell M, Eggers M, Hausmann F, Bérouti M, Padoan B, Flomm FJ, Claussen JM, Grünhagel B, Salfelder A, Beifuss B, Biskup S, Blümke P, Rading K, Hildebrandt H, Matschl U, Giesemann-Jansen S, Hennesen J, Nikolaev VO, Kutsche M, Kubisch C, Koch-Nolte F, Tomas NM, Tolosa E, Lütgehetmann M, Stahl FR, Hornung V, Bunders MJ, Schlein C, Topf M, Kötter I, Altfeld M (2026). Structural modeling and functional characterization of a novel gain-of-function TLR8 variant causing severe inflammatory syndrome. JCI Insight. 11/2026; PubMed

Zhao W, Chu LY, Abis G, Oozeer F, Mulvaney T, Nagar N, Topf M, Gordon-Weeks PR, Conte MR, Atherton J (2026). Structural mechanisms of drebrin-mediated F-actin network modulation. Nat Commun. 2026 Jun 23; PubMed

Vollmer B, Ebel H, Rees R, Nentwig J, Mulvaney T, Schünemann J, Krull J, Topf M, Görlich D, Grünewald K (2025). A nanobody specific to prefusion glycoprotein B neutralizes HSV-1 and HSV-2. Nature. 2025 Sep 03; PubMed

Alexander LT, Follonier OM, Kryshtafovych A, Abesamis K, Bibi-Triki S, Box HG, Breyton C, Bringel F, Carrique L, d'Acapito A, Dong G, DuBois R, Fass D, Fiesco JM, Fox DR, Grimes JM, Grinter R, Jenkins M, Kamyshinsky R, Keown JR, Lackner G, Lammers M, Liu S, Lovering AL, Malinauskas T, Masquida B, Palm GJ, Siebold C, Su T, Zhang P, Zhou ZH, Fidelis K, Topf M, Moult J, Schwede T (2025). Protein Target Highlights in CASP16: Insights From the Structure Providers. Proteins. 2025 Oct 09; PubMed

Genz LR, Nair S, Sweeney A, Topf M (2025). Drug targeting of protein-nucleic acid interactions. Curr Opin Struct Biol. 95/2025; PubMed

Genz LR, Nair S, Nagar N, Topf M (2025). Assessing scoring metrics for AlphaFold2 and AlphaFold3 protein complex predictions. Protein Sci. 34/2025; PubMed

Kryshtafovych A, Schwede T, Topf M, Fidelis K, Moult J (2025). Progress and Bottlenecks for Deep Learning in Computational Structure Biology: CASP Round XVI. Proteins. 2025 Nov 03; PubMed

Jadhav S, Maiorca M, Manigrasso J, Saha S, Rakitch A, Muscat S, Mulvaney T, De Vivo M, Topf M, Marcia M (2025). Dynamic assembly of a large multidomain ribozyme visualized by cryo-electron microscopy. Nat Commun. 16/2025; PubMed

Mulvaney T, Kryshtafovych A, Topf M (2025). Cryo-EM Analysis in CASP16. Proteins. 94/2026; PubMed

Manalastas-Cantos K, Adoni KR, Pfeifer M, Märtens B, Grünewald K, Thalassinos K, Topf M (2024). Modeling Flexible Protein Structure With AlphaFold2 and Crosslinking Mass Spectrometry. Mol Cell Proteomics. 23/2024; PubMed

Beton JG, Mulvaney T, Cragnolini T, Topf M (2024). Cryo-EM structure and B-factor refinement with ensemble representation. Nat Commun. 15/2024; PubMed

Del Moral-Morales A, Sámano C, Ocampo-Cervantes JA, Topf M, Baumbach J, Hernández J, Torres-Arciga K, González-Barrios R, Soto-Reyes E (2024). Key Proteins for Regeneration in A. mexicanum: Transcriptomic Insights From Aged and Juvenile Limbs. Scientifica (Cairo). 2024/2024; PubMed

Mulvaney T, Kretsch RC, Elliott L, Beton JG, Kryshtafovych A, Rigden DJ, Das R, Topf M (2023). CASP15 cryo-EM protein and RNA targets: Refinement and analysis using experimental maps. Proteins. 91/2023; PubMed

Kryshtafovych A, Schwede T, Topf M, Fidelis K, Moult J (2023). Critical assessment of methods of protein structure prediction (CASP)-Round XV. Proteins. 91/2023; PubMed

Genz LR, Mulvaney T, Nair S, Topf M (2023). PICKLUSTER: a protein-interface clustering and analysis plug-in for UCSF ChimeraX. Bioinformatics. 39/2023; PubMed

Malhotra S, Mulvaney T, Cragnolini T, Sidhu H, Joseph AP, Beton JG, Topf M (2023). RIBFIND2: Identifying rigid bodies in protein and nucleic acid structures. Nucleic Acids Res. 51/2023; PubMed

Alexander LT, Durairaj J, Kryshtafovych A, Abriata LA, Bayo Y, Bhabha G, Breyton C, Caulton SG, Chen J, Degroux S, Ekiert DC, Erlandsen BS, Freddolino L, Gilzer D, Greening C, Grimes JM, Grinter R, Gurusaran M, Hartmann MD, Hitchman CJ, Keown JR, Kropp A, Kursula P, Lovering AL, Lemaitre B, Lia A, Liu S, Logotheti M, Lu S, Markússon S, Miller MD, Minasov G, Niemann HH, Opazo F, Phillips GN, Davies OR, Rommelaere S, Rosas-Lemus M, Roversi P, Satchell K, Smith N, Wilson MA, Wu KL, Xia X, Xiao H, Zhang W, Zhou ZH, Fidelis K, Topf M, Moult J, Schwede T (2023). Protein target highlights in CASP15: Analysis of models by structure providers. Proteins. 91/2023; PubMed

Marini G, Poland B, Leininger C, Lukoyanova N, Spielbauer D, Barry JK, Altier D, Lum A, Scolaro E, Ortega CP, Yalpani N, Sandahl G, Mabry T, Klever J, Nowatzki T, Zhao JZ, Sethi A, Kassa A, Crane V, Lu AL, Nelson ME, Eswar N, Topf M, Saibil HR (2023). Structural journey of an insecticidal protein against western corn rootworm. Nat Commun. 14/2023; PubMed

Kryshtafovych A, Antczak M, Szachniuk M, Zok T, Kretsch RC, Rangan R, Pham P, Das R, Robin X, Studer G, Durairaj J, Eberhardt J, Sweeney A, Topf M, Schwede T, Fidelis K, Moult J (2023). New prediction categories in CASP15. Proteins. 91/2023; PubMed

Das R, Kretsch RC, Simpkin AJ, Mulvaney T, Pham P, Rangan R, Bu F, Keegan RM, Topf M, Rigden DJ, Miao Z, Westhof E (2023). Assessment of three-dimensional RNA structure prediction in CASP15. bioRxiv. 2023 Oct 03; PubMed

Reid KM, Steel D, Nair S, Bhate S, Biassoni L, Sudhakar S, Heys M, Burke E, Kamsteeg EJ, Genomics England Research Consortium , Hameed B, Zech M, Mencacci NE, Barwick K, Topf M, Kurian MA (2023). Loss-of-Function Variants in DRD1 in Infantile Parkinsonism-Dystonia. Cells. 12/2023; PubMed

Steel DBD, Danti FR, Abunada M, Kamien B, Malhotra S, Topf M, Kaliakatsos M, Valentine J, Nemeth AH, Jayawant S, Reid KM, Mankad K, Sudhakar S, Ben-Pazi H, Barwick K, Kurian MA (2023). Clinical Phenotype in Individuals With Birk-Landau-Perez Syndrome Associated With Biallelic SLC30A9 Pathogenic Variants. Neurology. 100/2023; PubMed

Sweeney A, Mulvaney T, Maiorca M, Topf M (2023). ChemEM: Flexible Docking of Small Molecules in Cryo-EM Structures. J Med Chem. 67/2024; PubMed

Das R, Kretsch RC, Simpkin AJ, Mulvaney T, Pham P, Rangan R, Bu F, Keegan RM, Topf M, Rigden DJ, Miao Z, Westhof E (2023). Assessment of three-dimensional RNA structure prediction in CASP15. Proteins. 91/2023; PubMed

Polubothu S, Bender N, Muthiah S, Zecchin D, Demetriou C, Martin SB, Malhotra S, Travnickova J, Zeng Z, Böhm M, Barbarot S, Cottrell C, Davies O, Baselga E, Burrows NP, Carmignac V, Diaz JS, Fink C, Haenssle HA, Happle R, Harland M, Majerowski J, Vabres P, Vincent M, Newton-Bishop JA, Bishop DT, Siegel D, Patton EE, Topf M, Rajan N, Drolet B, Kinsler VA (2022). PTPN11 Mosaicism Causes a Spectrum of Pigmentary and Vascular Neurocutaneous Disorders and Predisposes to Melanoma. J Invest Dermatol. 143/2023; PubMed

Reid KM, Spaull R, Salian S, Barwick K, Meyer E, Zhen J, Hirata H, Sheipouri D, Benkerroum H, Gorman KM, Papandreou A, Simpson MA, Hirano Y, Farabella I, Topf M, Grozeva D, Carss K, Smith M, Pall H, Lunt P, De Gressi S, Kamsteeg EJ, Haack TB, Carr L, Guerreiro R, Bras J, Maher ER, Scott RH, Vandenberg RJ, Raymond FL, Chong WK, Sudhakar S, Mankad K, Reith ME, Campeau PM, Harvey RJ, Kurian MA (2022). MED27, SLC6A7, and MPPE1 Variants in a Complex Neurodevelopmental Disorder with Severe Dystonia. Mov Disord. 37/2022; PubMed

Ivanova ME, Lukoyanova N, Malhotra S, Topf M, Trapani JA, Voskoboinik I, Saibil HR (2022). The pore conformation of lymphocyte perforin. Sci Adv. 8/2022; PubMed

Soloviev Z, Bullock JMA, James JMB, Sauerwein AC, Nettleship JE, Owens RJ, Hansen DF, Topf M, Thalassinos K (2022). Structural mass spectrometry decodes domain interaction and dynamics of the full-length Human Histone Deacetylase 2. Biochim Biophys Acta Proteins Proteom. 1870/2022; PubMed

Topf M, Rosta E, Bowman GR, Bonomi M (2021). Editorial: Experiments and Simulations: A Pas de Deux to Unravel Biological Function. Front Mol Biosci. 8/2021; PubMed

Alexander LT, Lepore R, Kryshtafovych A, Adamopoulos A, Alahuhta M, Arvin AM, Bomble YJ, Böttcher B, Breyton C, Chiarini V, Chinnam NB, Chiu W, Fidelis K, Grinter R, Gupta GD, Hartmann MD, Hayes CS, Heidebrecht T, Ilari A, Joachimiak A, Kim Y, Linares R, Lovering AL, Lunin VV, Lupas AN, Makbul C, Michalska K, Moult J, Mukherjee PK, Nutt WS, Oliver SL, Perrakis A, Stols L, Tainer JA, Topf M, Tsutakawa SE, Valdivia-Delgado M, Schwede T (2021). Target highlights in CASP14: Analysis of models by structure providers. Proteins. 89/2021; PubMed

Kryshtafovych A, Schwede T, Topf M, Fidelis K, Moult J (2021). Critical assessment of methods of protein structure prediction (CASP)-Round XIV. Proteins. 89/2021; PubMed

Cragnolini T, Kryshtafovych A, Topf M (2021). Cryo-EM targets in CASP14. Proteins. 89/2021; PubMed

Malhotra S, Joseph AP, Thiyagalingam J, Topf M (2021). Assessment of protein-protein interfaces in cryo-EM derived assemblies. Nat Commun. 12/2021; PubMed

Beton JG, Moorehead R, Helfmann L, Gray R, Hoogenboom BW, Joseph AP, Topf M, Pyne ALB (2021). TopoStats - A program for automated tracing of biomolecules from AFM images. Methods. 193/2021; PubMed

Vollmer B, Pražák V, Vasishtan D, Jefferys EE, Hernandez-Duran A, Vallbracht M, Klupp BG, Mettenleiter TC, Backovic M, Rey FA, Topf M, Grünewald K (2020). The prefusion structure of herpes simplex virus glycoprotein B. Sci Adv. 6/2020; PubMed

Hernández Durán A, Grünewald K, Topf M (2019). Conserved Central Intraviral Protein Interactome of the Herpesviridae Family. mSystems. 4/2019; PubMed

Hernández Durán A, Greco TM, Vollmer B, Cristea IM, Grünewald K, Topf M (2019). Protein interactions and consensus clustering analysis uncover insights into herpesvirus virion structure and function relationships. PLoS Biol. 17/2019; PubMed