Publications

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437 Publications visible to you, out of a total of 437

Parallel multiphysics simulations using OpenPALM with application to hydro-biogeochemistry coupling

Data Mining and Uncertainty Quantification

Abstract

Not specified

Authors: M. Wlotzka, V. Heuveline, S. Klatt, D. Kraus, E. Haas, K. Kiese, K. Butterbach-Bahl, P. Kraft, L. Breuer

Date Published: 2016

Publication Type: Journal

Citation: Proc. 6th International Conference on High-Performance Scientific Computing 2015 (LNCS Springer), pp. [in press]

Created: 7th Sep 2019 at 07:53, Last updated: 5th Mar 2024 at 21:23

Rescuing the Over-Collapse of Intrinsically Disordered Proteins using a Force Field Derived by a New Paradigm

Molecular Biomechanics

Abstract

Not specified

Authors: Davide Mercadante, Sigrid Milles, Gustavo Fuertes, Dmitri Svergun, Edward A Lemke, Frauke Gräter

Date Published: 2016

Publication Type: Journal

Citation: Biophysical Journal, 110(3):556a

Created: 7th Sep 2019 at 08:04, Last updated: 5th Mar 2024 at 21:23

Plasticity of Nucleoporin Nuclear Transport Receptor Interactions-Molecular Description of a Highly Dynamic, Ultrafast Interaction Mechanism

Molecular Biomechanics

Abstract

Not specified

Authors: Iker Valle Aramburu, Davide Mercadante, Sigrid Milles, Malene Ringkjøbing, Niccolò Banterle, Christine Koehler, Swati Tyagi, Jane Clarke, Sarah L Shammas, Martin Blackledge, others

Date Published: 2016

Publication Type: Journal

Citation: Biophysical Journal, 110(3):357a

Created: 7th Sep 2019 at 08:04, Last updated: 5th Mar 2024 at 21:23

Minicollagen cysteine-rich domains encode distinct modes of polymerization to form stable nematocyst capsules

Molecular Biomechanics

Abstract

Not specified

Authors: Anja Tursch, Davide Mercadante, Jutta Tennigkeit, Frauke Gräter, Suat Özbek

Date Published: 2016

Publication Type: Journal

PubMed ID: 27166560

DOI: 10.1038/srep25709

Citation: Scientific Reports, vol. 6

Created: 7th Sep 2019 at 08:04, Last updated: 5th Mar 2024 at 21:23

Structure and Properties of a Non-processive, Salt-requiring, and Acidophilic Pectin Methylesterase from Aspergillus niger Provide Insights into the Key Determinants of Processivity Control

Molecular Biomechanics

Abstract

Not specified

Authors: Lisa M Kent, Trevor S Loo, Laurence D Melton, Davide Mercadante, Martin AK Williams, Geoffrey B Jameson

Date Published: 2016

Publication Type: Journal

Citation: Journal of Biological Chemistry, 291(3):1289–1306

Created: 7th Sep 2019 at 08:04, Last updated: 5th Mar 2024 at 21:23

Human DPP III – Keap1 Interactions: A Combined Experimental And Computational study

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Mario Gundić, Antonija Tomić, Rebecca C. Wade, Mihaela Matovina, Zrinka Karačić, Saša Kazazić, Sanja Tomić

Date Published: 2016

Publication Type: Journal

DOI: 10.5562/cca2916

Citation: Croat. Chem. Acta 2016, 89(2), 217–228

Created: 7th Sep 2019 at 08:18, Last updated: 5th Mar 2024 at 21:23

Perturbation Approaches for Exploring Protein Binding Site Flexibility to Predict Transient Binding Pockets

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Daria B. Kokh, Paul Czodrowski, Friedrich Rippmann, Rebecca C. Wade

Date Published: 2016

Publication Type: Journal

DOI: 10.1021/acs.jctc.6b00101

Citation: J. Chem. Theory Comput. 12(8):4100-4113

Created: 7th Sep 2019 at 08:18, Last updated: 5th Mar 2024 at 21:23

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