Konstantin Fackeldey

1.2k total citations · 1 hit paper
33 papers, 623 citations indexed

About

Konstantin Fackeldey is a scholar working on Molecular Biology, Computational Theory and Mathematics and Materials Chemistry. According to data from OpenAlex, Konstantin Fackeldey has authored 33 papers receiving a total of 623 indexed citations (citations by other indexed papers that have themselves been cited), including 21 papers in Molecular Biology, 13 papers in Computational Theory and Mathematics and 7 papers in Materials Chemistry. Recurrent topics in Konstantin Fackeldey's work include Protein Structure and Dynamics (14 papers), Computational Drug Discovery Methods (10 papers) and Machine Learning in Materials Science (4 papers). Konstantin Fackeldey is often cited by papers focused on Protein Structure and Dynamics (14 papers), Computational Drug Discovery Methods (10 papers) and Machine Learning in Materials Science (4 papers). Konstantin Fackeldey collaborates with scholars based in Germany, United States and Switzerland. Konstantin Fackeldey's co-authors include Marcus Weber, Haribabu Arthanari, Christoph Gorgulla, Gerhard Wagner, Patrick D. Fischer, David A. Scott, Dmytro S. Radchenko, Moritz Hoffmann, Andras Boeszoermenyi and Yurii S. Moroz and has published in prestigious journals such as Nature, The Journal of Chemical Physics and SHILAP Revista de lepidopterología.

In The Last Decade

Konstantin Fackeldey

30 papers receiving 610 citations

Hit Papers

align trajectories

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

An open-source drug discovery platform enables ultra-large virtual screens

2020 395 citations Christoph Gorgulla, Andras Boeszoermenyi et al. Nature profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name	h						Papers	Cites
Konstantin Fackeldey Germany	10	388	301	118	48	44	33	623
Norman Sieroka Switzerland	7	250 0.6×	303 1.0×	155 1.3×	38 0.8×	13 0.3×	27	590
Scott LeGrand United States	4	497 1.3×	131 0.4×	179 1.5×	53 1.1×	17 0.4×	5	803
Tom Kurtzman United States	13	600 1.5×	340 1.1×	193 1.6×	97 2.0×	21 0.5×	24	756
Antonia S. J. S. Mey United Kingdom	17	787 2.0×	336 1.1×	294 2.5×	52 1.1×	91 2.1×	37	1.0k
Chloé‐Agathe Azencott France	11	440 1.1×	220 0.7×	144 1.2×	21 0.4×	11 0.3×	24	785
Huba Kiss Hungary	12	528 1.4×	286 1.0×	35 0.3×	34 0.7×	62 1.4×	35	927
Martin K. Scherer Germany	3	716 1.8×	118 0.4×	192 1.6×	26 0.5×	24 0.5×	3	856
Agastya P. Bhati United Kingdom	12	448 1.2×	281 0.9×	164 1.4×	25 0.5×	15 0.3×	24	579
Diego Prada‐Gracia Mexico	14	350 0.9×	83 0.3×	117 1.0×	38 0.8×	28 0.6×	26	606
Mohammad M. Sultan United States	12	787 2.0×	204 0.7×	320 2.7×	33 0.7×	39 0.9×	25	980

Countries citing papers authored by Konstantin Fackeldey

Since Specialization

Citations

This map shows the geographic impact of Konstantin Fackeldey's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Konstantin Fackeldey with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Konstantin Fackeldey more than expected).

Fields of papers citing papers by Konstantin Fackeldey

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Konstantin Fackeldey. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Konstantin Fackeldey. The network helps show where Konstantin Fackeldey may publish in the future.

Co-authorship network of co-authors of Konstantin Fackeldey

This figure shows the co-authorship network connecting the top 25 collaborators of Konstantin Fackeldey. A scholar is included among the top collaborators of Konstantin Fackeldey based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Konstantin Fackeldey. Konstantin Fackeldey is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

Fackeldey, Konstantin, et al.. (2023). Coarse-Grained MD Simulations of Opioid Interactions with the μ-Opioid Receptor and the Surrounding Lipid Membrane. SHILAP Revista de lepidopterología. 3(2). 263–275. 1 indexed citations

Fackeldey, Konstantin, et al.. (2023). Augmented ant colony algorithm for virtual drug discovery. Journal of Mathematical Chemistry. 62(2). 367–385.

Secker, Christopher, et al.. (2023). Novel multi-objective affinity approach allows to identify pH-specific μ-opioid receptor agonists. Journal of Cheminformatics. 15(1). 85–85. 1 indexed citations

Gorgulla, Christoph, Abhilash Jayaraj, Konstantin Fackeldey, & Haribabu Arthanari. (2022). Emerging frontiers in virtual drug discovery: From quantum mechanical methods to deep learning approaches. Current Opinion in Chemical Biology. 69. 102156–102156. 25 indexed citations

Fackeldey, Konstantin, et al.. (2021). Analyzing Raman spectral data without separabiliy assumption. Journal of Mathematical Chemistry. 59(3). 575–596. 1 indexed citations

Fackeldey, Konstantin, et al.. (2021). Long range corrections for inhomogeneous fluids containing a droplet or a bubble. Molecular Simulation. 48(1). 73–86. 1 indexed citations

Gorgulla, Christoph, et al.. (2021). VirtualFlow Ants—Ultra-Large Virtual Screenings with Artificial Intelligence Driven Docking Algorithm Based on Ant Colony Optimization. International Journal of Molecular Sciences. 22(11). 5807–5807. 20 indexed citations

Gorgulla, Christoph, Andras Boeszoermenyi, Zifu Wang, et al.. (2020). An open-source drug discovery platform enables ultra-large virtual screens. Nature. 580(7805). 663–668. 395 indexed citations breakdown →

Gorgulla, Christoph, Konstantin Fackeldey, Gerhard Wagner, & Haribabu Arthanari. (2020). Accounting of Receptor Flexibility in Ultra-Large Virtual Screens with VirtualFlow Using a Grey Wolf Optimization Method. Supercomputing Frontiers and Innovations. 7(3). 4–12. 7 indexed citations

10.

Fackeldey, Konstantin, et al.. (2019). Computation of temperature-dependent dissociation rates of metastable protein–ligand complexes. Molecular Simulation. 45(11). 904–911. 1 indexed citations

11.

Fackeldey, Konstantin, et al.. (2018). Mixed-Integer Programming for Cycle Detection in Nonreversible Markov Processes. Multiscale Modeling and Simulation. 16(1). 248–265. 1 indexed citations

12.

Fackeldey, Konstantin, Amir Niknejad, & Marcus Weber. (2017). Finding metastabilities in reversible Markov chains based on incomplete sampling. Special Matrices. 5(1). 73–81.

13.

Fackeldey, Konstantin & Marcus Weber. (2017). GenPCCA -- Markov State Models for Non-Equilibrium Steady States. 3 indexed citations

14.

Fackeldey, Konstantin & Marcus Weber. (2014). Local Refinements in Classical Molecular Dynamics Simulations. Journal of Physics Conference Series. 490. 12016–12016. 1 indexed citations

15.

Fackeldey, Konstantin, et al.. (2013). Conformational analysis of alternariol on the quantum level. Journal of Molecular Modeling. 19(6). 2567–2572. 3 indexed citations

16.

Bujotzek, Alexander, et al.. (2013). ZIBgridfree: efficient conformational analysis by partition-of-unity coupling. Journal of Mathematical Chemistry. 52(3). 781–804. 4 indexed citations

17.

Durmaz, Vedat, et al.. (2013). Medizin aus dem Computer. Zeitschrift für Rheumatologie. 72(8). 809–813. 1 indexed citations

18.

Fackeldey, Konstantin, et al.. (2011). Soft Versus Hard Metastable Conformations in Molecular Simulations. QRU Quaderns de Recerca en Urbanisme. 899–909. 3 indexed citations

19.

Fackeldey, Konstantin, Dorian Krause, Rolf Krause, & Christoph Lenzen. (2011). Coupling Molecular Dynamics and Continua with Weak Constraints. Multiscale Modeling and Simulation. 9(4). 1459–1494. 8 indexed citations

20.

Fackeldey, Konstantin & Rolf Krause. (2009). Multiscale coupling in function space—weak coupling between molecular dynamics and continuum mechanics. International Journal for Numerical Methods in Engineering. 79(12). 1517–1535. 11 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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