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  1. Article ; Online: COVID-19: The Second Wave is not due to Cooling-down in Autumn.

    Langel, Walter

    Journal of epidemiology and global health

    2021  Volume 11, Issue 2, Page(s) 160–163

    MeSH term(s) COVID-19/epidemiology ; Cold Temperature ; Humans ; Reproducibility of Results ; SARS-CoV-2 ; Seasons
    Language English
    Publishing date 2021-03-24
    Publishing country France
    Document type Journal Article
    ZDB-ID 2645324-1
    ISSN 2210-6014 ; 2210-6014
    ISSN (online) 2210-6014
    ISSN 2210-6014
    DOI 10.2991/jegh.k.210318.001
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: COVID-19

    Walter Langel

    Journal of Epidemiology and Global Health, Vol 11, Iss

    The Second Wave is not due to Cooling-down in Autumn

    2021  Volume 2

    Keywords COVID-19 ; SARS-CoV-2 ; Argentina ; Europe ; temperature dependence ; infection rate ; Public aspects of medicine ; RA1-1270
    Language English
    Publishing date 2021-03-01T00:00:00Z
    Publisher Springer
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  3. Article ; Online: Extrapolation of Infection Data for the CoVid-19 Virus and Estimate of the Pandemic Time Scale.

    Langel, Walter

    medRxiv

    Abstract: Predictions about the further development of the Corona pandemic are widely diverging. Here, a simple yet powerful algorithm is introduced for extrapolating infection rate and number of total infections from available data. The calculation predicts that ... ...

    Abstract Predictions about the further development of the Corona pandemic are widely diverging. Here, a simple yet powerful algorithm is introduced for extrapolating infection rate and number of total infections from available data. The calculation predicts that under present conditions the infection rate in Germany will culminate in a few weeks and decrease to low values by mid-June 2020. Total number of infections will reach several 100,000 though.
    Keywords covid19
    Language English
    Publishing date 2020-03-30
    Publisher Cold Spring Harbor Laboratory Press
    Document type Article ; Online
    DOI 10.1101/2020.03.26.20044081
    Database COVID19

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  4. Article ; Online: Extrapolation of Infection Data for the CoVid-19 Virus and Estimate of the Pandemic Time Scale

    Langel, Walter

    Abstract: Predictions about the further development of the Corona pandemic are widely diverging. Here, a simple yet powerful algorithm is introduced for extrapolating infection rate and number of total infections from available data. The calculation predicts that ... ...

    Abstract Predictions about the further development of the Corona pandemic are widely diverging. Here, a simple yet powerful algorithm is introduced for extrapolating infection rate and number of total infections from available data. The calculation predicts that under present conditions the infection rate in Germany will culminate in a few weeks and decrease to low values by mid-June 2020. Total number of infections will reach several 100000 though.
    Keywords covid19
    Publisher MedRxiv; WHO
    Document type Article ; Online
    Note WHO #Covidence: #20044081
    DOI 10.1101/2020.03.26.20044081
    Database COVID19

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  5. Article ; Online: CoVid-19: The Second Wave is not due to Cooling-down in Autumn

    Langel, Walter

    medRxiv

    Abstract: In analogy to influenza the second wave of the CoVid-19 disease is generally considered as being triggered by cooling-down in autumn and enhanced aerosol distribution. Here, the time histories of the total case numbers in three European states are ... ...

    Abstract In analogy to influenza the second wave of the CoVid-19 disease is generally considered as being triggered by cooling-down in autumn and enhanced aerosol distribution. Here, the time histories of the total case numbers in three European states are quantitatively compared with those of Argentina by a generally applicable fit procedure. It turns out that Argentina on the southern hemisphere sees the second wave simultaneously with similar parameters as Europe. This discards the assumption of the influence of atmospheric cooling in winter and puts into question present models of SARS-CoV-2 spreading.
    Keywords covid19
    Language English
    Publishing date 2020-11-30
    Publisher Cold Spring Harbor Laboratory Press
    Document type Article ; Online
    DOI 10.1101/2020.11.27.20239772
    Database COVID19

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  6. Article ; Online: Extrapolation of Infection Data for the CoVid-19 Virus in 21 Countries and States and Estimate of the Efficiency of Lock Down.

    Langel, Walter

    medRxiv

    Abstract: Predictions about the further development of the Corona pandemic are of great public interest but many approaches demand a large number of country specific parameters and are not easily transferable. A special interest of simulations on the pandemic is ... ...

    Abstract Predictions about the further development of the Corona pandemic are of great public interest but many approaches demand a large number of country specific parameters and are not easily transferable. A special interest of simulations on the pandemic is to trace the effect of politics for reducing the virus spread, since these measures have had an enormous impact on economy and daily life. Here a simple yet powerful algorithm is introduced for fitting the infection numbers by simple analytic functions. This way, the increase of the case numbers in periods with different regulations can be distinguished, and by extrapolating the fit functions, a forecast for the maximum numbers and time scales are possible. The effect of the restraints such as lock down are demonstrated by comparing the resulting infection history with the likely unconstrained virus spread, and it is shown that a delay of 1-4 weeks before imposing measures aiming at social distancing could have led to a complete infection of the respective populations. The approach is simply transferable to many different states. Here data from six E.U. countries, the UK, Russia, two Asian countries, the USA and ten states inside the USA with significant case numbers are analyzed, and striking qualitative similarities are found.
    Keywords covid19
    Language English
    Publishing date 2020-06-19
    Publisher Cold Spring Harbor Laboratory Press
    Document type Article ; Online
    DOI 10.1101/2020.06.17.20134254
    Database COVID19

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  7. Article ; Online: Molecular dynamics simulations to the bidirectional adhesion signaling pathway of integrin α

    Kulke, Martin / Langel, Walter

    Proteins

    2019  Volume 88, Issue 5, Page(s) 679–688

    Abstract: The bidirectional force transmission process of integrin through the cell membrane is still not well understood. Several possible mechanisms have been discussed in literature on the basis of experimental data, and in this study, we investigate these ... ...

    Abstract The bidirectional force transmission process of integrin through the cell membrane is still not well understood. Several possible mechanisms have been discussed in literature on the basis of experimental data, and in this study, we investigate these mechanisms by free and steered molecular dynamics simulations. For the first time, constant velocity pulling on the complete integrin molecule inside a dipalmitoyl-phosphatidylcholine membrane is conducted. From the results, the most likely mechanism for inside-out and outside-in signaling is the switchblade model with further separation of the transmembrane helices.
    MeSH term(s) 1,2-Dipalmitoylphosphatidylcholine/chemistry ; 1,2-Dipalmitoylphosphatidylcholine/metabolism ; Binding Sites ; Cell Membrane/chemistry ; Cell Membrane/metabolism ; Crystallography, X-Ray ; Extracellular Matrix/chemistry ; Extracellular Matrix/metabolism ; Humans ; Integrin alphaVbeta3/chemistry ; Integrin alphaVbeta3/genetics ; Integrin alphaVbeta3/metabolism ; Molecular Dynamics Simulation ; Principal Component Analysis ; Protein Binding ; Protein Conformation, alpha-Helical ; Protein Conformation, beta-Strand ; Protein Interaction Domains and Motifs ; Thermodynamics
    Chemical Substances Integrin alphaVbeta3 ; 1,2-Dipalmitoylphosphatidylcholine (2644-64-6)
    Language English
    Publishing date 2019-11-18
    Publishing country United States
    Document type Journal Article
    ZDB-ID 806683-8
    ISSN 1097-0134 ; 0887-3585
    ISSN (online) 1097-0134
    ISSN 0887-3585
    DOI 10.1002/prot.25849
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    In stock of ZB MED Cologne/Königswinter

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    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (2.OG)
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  8. Book ; Online ; Thesis: A Molecular Model for an Adhesion Complex in the Extracellular Matrix of Bone Cells

    Kulke, Martin [Verfasser] / Langel, Walter [Akademischer Betreuer] / Langel, Walter [Gutachter] / Ludwig, Ralf [Gutachter]

    2019  

    Author's details Martin Kulke ; Gutachter: Walter Langel, Ralf Ludwig ; Betreuer: Walter Langel
    Keywords Biowissenschaften, Biologie ; Life Science, Biology
    Subject code sg570
    Language English
    Publisher Universität Greifswald
    Publishing place Greifswald
    Document type Book ; Online ; Thesis
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  9. Article ; Online: Replica-Based Protein Structure Sampling Methods: Compromising between Explicit and Implicit Solvents.

    Kulke, Martin / Geist, Norman / Möller, Daniel / Langel, Walter

    The journal of physical chemistry. B

    2018  Volume 122, Issue 29, Page(s) 7295–7307

    Abstract: The structure of a protein is often not completely accessible by experiments. In silico, replica exchange molecular dynamics (REMD) is the standard sampling method for predicting the secondary and tertiary structures from the amino acid sequence, but it ... ...

    Abstract The structure of a protein is often not completely accessible by experiments. In silico, replica exchange molecular dynamics (REMD) is the standard sampling method for predicting the secondary and tertiary structures from the amino acid sequence, but it is computationally very expensive. Two recent adaptations from REMD, temperature intervals with global exchange of replicas (TIGER2) and TIGER2A, have been tested here in implicit and explicit solvents. Additionally, explicit, implicit, and hybrid solvent REMD are compared. On the basis of the hybrid REMD (REMDh) method, we present a new hybrid TIGER2h algorithm for faster structural sampling, while retaining good accuracy. The implementations of REMDh, TIGER2, TIGER2A, and TIGER2h are provided for nanoscale molecular dynamics (NAMD). All the methods were tested with two model peptides of known structure, (AAQAA)
    MeSH term(s) Algorithms ; Amino Acid Sequence ; Collagen Type I/chemistry ; Collagen Type I/metabolism ; Molecular Dynamics Simulation ; Peptides/chemistry ; Peptides/metabolism ; Principal Component Analysis ; Protein Conformation, alpha-Helical ; Protein Folding ; Protein Structure, Tertiary ; Solvents/chemistry ; Temperature ; Thermodynamics
    Chemical Substances Collagen Type I ; Peptides ; Solvents
    Language English
    Publishing date 2018-07-17
    Publishing country United States
    Document type Journal Article
    ISSN 1520-5207
    ISSN (online) 1520-5207
    DOI 10.1021/acs.jpcb.8b05178
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  10. Article ; Online: Replica-Based Protein Structure Sampling Methods II: Advanced Hybrid Solvent TIGER2hs.

    Geist, Norman / Kulke, Martin / Schulig, Lukas / Link, Andreas / Langel, Walter

    The journal of physical chemistry. B

    2019  Volume 123, Issue 28, Page(s) 5995–6006

    Abstract: In many cases, native states of proteins may be predicted with sufficient accuracy by molecular dynamics simulations (MDSs) with modern force fields. Enhanced sampling methods based on MDS are applied for exploring the phase space of a protein sequence ... ...

    Abstract In many cases, native states of proteins may be predicted with sufficient accuracy by molecular dynamics simulations (MDSs) with modern force fields. Enhanced sampling methods based on MDS are applied for exploring the phase space of a protein sequence and to overcome barriers on rough conformational energy landscapes. The minimum free energy state is obtained with sampling algorithms providing sufficient convergence and accuracy. A reliable but computationally very expensive method is replica exchange molecular dynamics, with many modifications to this approach presented in the past. Recently, we demonstrated how our temperature intervals with global exchange of replicas hybrid (TIGER2h) solvent sampling algorithm made a good compromise between efficiency and accuracy. There, all states are sampled under full explicit solvent conditions with a freely chosen number of replicas, whereas an implicit solvent is used during the swap decisions. This hybrid method yielded a much better approximation to the agreement with calculations in an explicit solvent than fully implicit solvent simulations. Here, we present an extension of TIGER2h and add a few layers of explicit water molecules around the peptide for the energy calculations, whereas the dynamics in fully explicit water is maintained. We claim that these water layers better reproduce steric effects, the polarization of the solvent, and the resulting reaction field energy than typical implicit solvent models. By investigating the protein-solvent interactions across comprehensive thermodynamic state ensembles, we found a strong conformational dependence of this reaction field energy. All simulations were performed with nanoscale molecular dynamics on two peptides, the α-helical peptide (AAQAA)
    MeSH term(s) Amino Acid Sequence ; Molecular Dynamics Simulation ; Peptides/chemistry ; Protein Conformation, alpha-Helical ; Proteins/chemistry ; Solvents/chemistry ; Temperature
    Chemical Substances Peptides ; Proteins ; Solvents
    Language English
    Publishing date 2019-07-02
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ISSN 1520-5207
    ISSN (online) 1520-5207
    DOI 10.1021/acs.jpcb.9b03134
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