Martin Zacharias (M Zacharias)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 96

Top Topics

Abdominal Aortic

Molecular Dynamics

Protein Protein

Top Venues

Journal of chemical theory and computation

Communications biology

The journal of physical chemistry. B

Nature chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Luis J Walter, Patrick K Quoika, Martin Zacharias
Structure-Based Protein Assembly Simulations Including Various Binding Sites and Conformations. Journal of chemical information and modeling 64 (8) (2024)
Luis J Walter, Patrick K Quoika, Martin Zacharias
Structure-Based Protein Assembly Simulations Including Various Binding Sites and Conformations. Journal of chemical information and modeling 64 (8) (2024)
Maximilian Kienlein, Martin Zacharias, Maria M Reif
Comprehensive Analysis of Coupled Proline Cis-Trans States in Bradykinin Using ωBP-REMD Simulations. Journal of chemical theory and computation 20 (6) (2024)
Anna-Lena M Fischer, Anna Tichy, Janik Kokot, Valentin J Hoerschinger, Robert F Wild, Jakob R Riccabona, Johannes R Loeffler, Franz Waibl, Patrick K Quoika, Philipp Gschwandtner, Stefano Forli, Andrew B Ward, Klaus Roman Liedl, Martin Zacharias, Monica L I Fernández-Quintero
The Role of Force Fields and Water Models in Protein Folding and Unfolding Dynamics. Journal of chemical theory and computation 20 (5) (2024)
Martin Zacharias, Sebastian Springer
Peptide vaccines get an OS update. Nature chemical biology (2024)
Maximilian Kienlein, Martin Zacharias, Maria M Reif
Comprehensive Analysis of Coupled Proline Cis-Trans States in Bradykinin Using ωBP-REMD Simulations. Journal of chemical theory and computation (2024)
Luis J Walter, Patrick K Quoika, Martin Zacharias
Structure-Based Protein Assembly Simulations Including Various Binding Sites and Conformations. Journal of chemical information and modeling 64 (8) (2024)
Saba Suladze, Christian Sustay Martinez, Diana C Rodriguez Camargo, Jonas Engler, Natalia Rodina, Riddhiman Sarkar, Martin Zacharias, Bernd Reif
Structural Insights into Seeding Mechanisms of hIAPP Fibril Formation. Journal of the American Chemical Society (2024)
Saba Suladze, Christian Sustay Martinez, Diana C Rodriguez Camargo, Jonas Engler, Natalia Rodina, Riddhiman Sarkar, Martin Zacharias, Bernd Reif
Structural Insights into Seeding Mechanisms of hIAPP Fibril Formation. Journal of the American Chemical Society 146 (20) (2024)
Luis J Walter, Patrick K Quoika, Martin Zacharias
Structure-Based Protein Assembly Simulations Including Various Binding Sites and Conformations. Journal of chemical information and modeling 64 (8) (2024)
Mikhail Shein, Manuel Hitzenberger, Tat Cheung Cheng, Smruti R Rout, Kira D Leitl, Yusuke Sato, Martin Zacharias, Eri Sakata, Anne Kathrin Schütz
Characterizing ATP processing by the AAA+ protein p97 at the atomic level. Nature chemistry 16 (3) (2024)
Maximilian Kienlein, Martin Zacharias, Maria M Reif
Comprehensive Analysis of Coupled Proline Cis-Trans States in Bradykinin Using ωBP-REMD Simulations. Journal of chemical theory and computation 20 (6) (2024)
Mikhail Shein, Manuel Hitzenberger, Tat Cheung Cheng, Smruti R Rout, Kira D Leitl, Yusuke Sato, Martin Zacharias, Eri Sakata, Anne Kathrin Schütz
Characterizing ATP processing by the AAA+ protein p97 at the atomic level. Nature chemistry 16 (3) (2024)
Maximilian Kienlein, Martin Zacharias, Maria M Reif
Comprehensive Analysis of Coupled Proline Cis-Trans States in Bradykinin Using ωBP-REMD Simulations. Journal of chemical theory and computation 20 (6) (2024)
Mikhail Shein, Manuel Hitzenberger, Tat Cheung Cheng, Smruti R Rout, Kira D Leitl, Yusuke Sato, Martin Zacharias, Eri Sakata, Anne Kathrin Schütz
Characterizing ATP processing by the AAA+ protein p97 at the atomic level. Nature chemistry 16 (3) (2024)
Maximilian Kienlein, Martin Zacharias, Maria M Reif
Comprehensive Analysis of Coupled Proline Cis-Trans States in Bradykinin Using ωBP-REMD Simulations. Journal of chemical theory and computation 20 (6) (2024)
Christina V Frost, Nadine Schwierz, Martin Zacharias
Efficient and accurate binding free energy calculation of Aβ 9-40 protofilament propagation. Proteins (2024)
Anna-Lena M Fischer, Anna Tichy, Janik Kokot, Valentin J Hoerschinger, Robert F Wild, Jakob R Riccabona, Johannes R Loeffler, Franz Waibl, Patrick K Quoika, Philipp Gschwandtner, Stefano Forli, Andrew B Ward, Klaus Roman Liedl, Martin Zacharias, Monica L I Fernández-Quintero
The Role of Force Fields and Water Models in Protein Folding and Unfolding Dynamics. Journal of chemical theory and computation 20 (5) (2024)
Shu-Yu Chen, Michaela K Fiedler, Thomas F Gronauer, Olesia Omelko, Marie-Kristin von Wrisberg, Tao Wang, Sabine Schneider, Stephan A Sieber, Martin Zacharias
Unraveling the mechanism of small molecule induced activation of Staphylococcus aureus signal peptidase IB. Communications biology 7 (1) (2024)
Luis J Walter, Patrick K Quoika, Martin Zacharias
Structure-Based Protein Assembly Simulations Including Various Binding Sites and Conformations. Journal of chemical information and modeling (2024)
Shu-Yu Chen, Michaela K Fiedler, Thomas F Gronauer, Olesia Omelko, Marie-Kristin von Wrisberg, Tao Wang, Sabine Schneider, Stephan A Sieber, Martin Zacharias
Unraveling the mechanism of small molecule induced activation of Staphylococcus aureus signal peptidase IB. Communications biology 7 (1) (2024)
Anna-Lena M Fischer, Anna Tichy, Janik Kokot, Valentin J Hoerschinger, Robert F Wild, Jakob R Riccabona, Johannes R Loeffler, Franz Waibl, Patrick K Quoika, Philipp Gschwandtner, Stefano Forli, Andrew B Ward, Klaus Roman Liedl, Martin Zacharias, Monica L I Fernández-Quintero
The Role of Force Fields and Water Models in Protein Folding and Unfolding Dynamics. Journal of chemical theory and computation 20 (5) (2024)
Patrick K Quoika, Martin Zacharias
Liquid-Vapor Coexistence and Spontaneous Evaporation at Atmospheric Pressure of Common Rigid Three-Point Water Models in Molecular Simulations. The journal of physical chemistry. B (2024)
Anna-Lena M Fischer, Anna Tichy, Janik Kokot, Valentin J Hoerschinger, Robert F Wild, Jakob R Riccabona, Johannes R Loeffler, Franz Waibl, Patrick K Quoika, Philipp Gschwandtner, Stefano Forli, Andrew B Ward, Klaus Roman Liedl, Martin Zacharias, Monica L I Fernández-Quintero
The Role of Force Fields and Water Models in Protein Folding and Unfolding Dynamics. Journal of chemical theory and computation 20 (5) (2024)
Saba Suladze, Christian Sustay Martinez, Diana C Rodriguez Camargo, Jonas Engler, Natalia Rodina, Riddhiman Sarkar, Martin Zacharias, Bernd Reif
Structural Insights into Seeding Mechanisms of hIAPP Fibril Formation. Journal of the American Chemical Society 146 (20) (2024)
Mikhail Shein, Manuel Hitzenberger, Tat Cheung Cheng, Smruti R Rout, Kira D Leitl, Yusuke Sato, Martin Zacharias, Eri Sakata, Anne Kathrin Schütz
Characterizing ATP processing by the AAA+ protein p97 at the atomic level. Nature chemistry (2024)
Mikhail Shein, Manuel Hitzenberger, Tat Cheung Cheng, Smruti R Rout, Kira D Leitl, Yusuke Sato, Martin Zacharias, Eri Sakata, Anne Kathrin Schütz
Characterizing ATP processing by the AAA+ protein p97 at the atomic level. Nature chemistry (2024)
Anna-Lena M Fischer, Anna Tichy, Janik Kokot, Valentin J Hoerschinger, Robert F Wild, Jakob R Riccabona, Johannes R Loeffler, Franz Waibl, Patrick K Quoika, Philipp Gschwandtner, Stefano Forli, Andrew B Ward, Klaus Roman Liedl, Martin Zacharias, Monica L I Fernández-Quintero
The Role of Force Fields and Water Models in Protein Folding and Unfolding Dynamics. Journal of chemical theory and computation (2024)
Saba Suladze, Christian Sustay Martinez, Diana C Rodriguez Camargo, Jonas Engler, Natalia Rodina, Riddhiman Sarkar, Martin Zacharias, Bernd Reif
Structural Insights into Seeding Mechanisms of hIAPP Fibril Formation. Journal of the American Chemical Society 146 (20) (2024)
Luis J Walter, Patrick K Quoika, Martin Zacharias
Structure-Based Protein Assembly Simulations Including Various Binding Sites and Conformations. Journal of chemical information and modeling 64 (8) (2024)
Martin Zacharias, Sebastian Springer
Peptide vaccines get an OS update. Nature chemical biology 20 (5) (2024)
Shu-Yu Chen, Michaela K Fiedler, Thomas F Gronauer, Olesia Omelko, Marie-Kristin von Wrisberg, Tao Wang, Sabine Schneider, Stephan A Sieber, Martin Zacharias
Unraveling the mechanism of small molecule induced activation of Staphylococcus aureus signal peptidase IB. Communications biology 7 (1) (2024)
Patrick K Quoika, Martin Zacharias
Liquid-Vapor Coexistence and Spontaneous Evaporation at Atmospheric Pressure of Common Rigid Three-Point Water Models in Molecular Simulations. The journal of physical chemistry. B 128 (10) (2024)
Mikhail Shein, Manuel Hitzenberger, Tat Cheung Cheng, Smruti R Rout, Kira D Leitl, Yusuke Sato, Martin Zacharias, Eri Sakata, Anne Kathrin Schütz
Characterizing ATP processing by the AAA+ protein p97 at the atomic level. Nature chemistry (2024)
Mikhail Shein, Manuel Hitzenberger, Tat Cheung Cheng, Smruti R Rout, Kira D Leitl, Yusuke Sato, Martin Zacharias, Eri Sakata, Anne Kathrin Schütz
Characterizing ATP processing by the AAA+ protein p97 at the atomic level. Nature chemistry 16 (3) (2024)
Martin Zacharias, Sebastian Springer
Peptide vaccines get an OS update. Nature chemical biology 20 (5) (2024)
Patrick K Quoika, Martin Zacharias
Liquid-Vapor Coexistence and Spontaneous Evaporation at Atmospheric Pressure of Common Rigid Three-Point Water Models in Molecular Simulations. The journal of physical chemistry. B 128 (10) (2024)
Shu-Yu Chen, Michaela K Fiedler, Thomas F Gronauer, Olesia Omelko, Marie-Kristin von Wrisberg, Tao Wang, Sabine Schneider, Stephan A Sieber, Martin Zacharias
Unraveling the mechanism of small molecule induced activation of Staphylococcus aureus signal peptidase IB. Communications biology 7 (1) (2024)
Patrick K Quoika, Martin Zacharias
Liquid-Vapor Coexistence and Spontaneous Evaporation at Atmospheric Pressure of Common Rigid Three-Point Water Models in Molecular Simulations. The journal of physical chemistry. B 128 (10) (2024)
Shu-Yu Chen, Matthias Koch, Lucía Chávez-Gutiérrez, Martin Zacharias
How Modulator Binding at the Amyloidβ-γ-Secretase Interface Enhances Substrate Binding and Attenuates Membrane Distortion. Journal of medicinal chemistry (2023)
Tejaswini Pradhan, Riddhiman Sarkar, Kevin M Meighen-Berger, Matthias J Feige, Martin Zacharias, Bernd Reif
Mechanistic insights into the aggregation pathway of the patient-derived immunoglobulin light chain variable domain protein FOR005. Nature communications 14 (1) (2023)
Umut Günsel, Kai Klöpfer, Elisabeth Häusler, Manuel Hitzenberger, Bettina Bölter, Laura E Sperl, Martin Zacharias, Jürgen Soll, Franz Hagn
Structural basis of metabolite transport by the chloroplast outer envelope channel OEP21. Nature structural & molecular biology (2023)
Georg J Rottenaicher, Ramona M Absmeier, Laura Meier, Martin Zacharias, Johannes Buchner
A constant domain mutation in a patient-derived antibody light chain reveals principles of AL amyloidosis. Communications biology 6 (1) (2023)
Georg J Rottenaicher, Ramona M Absmeier, Laura Meier, Martin Zacharias, Johannes Buchner
A constant domain mutation in a patient-derived antibody light chain reveals principles of AL amyloidosis. Communications biology 6 (1) (2023)
Georg J Rottenaicher, Ramona M Absmeier, Laura Meier, Martin Zacharias, Johannes Buchner
A constant domain mutation in a patient-derived antibody light chain reveals principles of AL amyloidosis. Communications biology 6 (1) (2023)
Georg J Rottenaicher, Ramona M Absmeier, Laura Meier, Martin Zacharias, Johannes Buchner
A constant domain mutation in a patient-derived antibody light chain reveals principles of AL amyloidosis. Communications biology 6 (1) (2023)
Shu-Yu Chen, Martin Zacharias
What Makes a Good Protein-Protein Interaction Stabilizer: Analysis and Application of the Dual-Binding Mechanism. ACS central science 9 (5) (2023)
Shu-Yu Chen, Lukas P Feilen, Chávez-Gutiérrez Lucía, Harald Steiner, Martin Zacharias
Enzyme-substrate hybrid β-sheet controls geometry and water access to the γ-secretase active site. Communications biology 6 (1) (2023)
Georg J Rottenaicher, Ramona M Absmeier, Laura Meier, Martin Zacharias, Johannes Buchner
A constant domain mutation in a patient-derived antibody light chain reveals principles of AL amyloidosis. Communications biology 6 (1) (2023)
Nicolas Bloemeke, Kevin Meighen-Berger, Manuel Hitzenberger, Nina C Bach, Marina Parr, Joao Pl Coelho, Dmitrij Frishman, Martin Zacharias, Stephan A Sieber, Matthias J Feige
Intramembrane client recognition potentiates the chaperone functions of calnexin. The EMBO journal (2022)
Manuel Rieger, Martin Zacharias
Nearest-Neighbor dsDNA Stability Analysis Using Alchemical Free-Energy Simulations. The journal of physical chemistry. B 126 (20) (2022)
Richard L Zschau, Martin Zacharias
Mechanism of β-hairpin formation in AzoChignolin and Chignolin. Journal of computational chemistry 44 (9) (2022)
Sambhasan Banerjee, Julian Baur, Christoph Daniel, Peter Benedikt Pfeiffer, Manuel Hitzenberger, Lukas Kuhn, Sebastian Wiese, Johan Bijzet, Christian Haupt, Kerstin U Amann, Martin Zacharias, Bouke P C Hazenberg, Gunilla T Westermark, Matthias Schmidt, Marcus Fändrich
Amyloid fibril structure from the vascular variant of systemic AA amyloidosis. Nature communications 13 (1) (2022)
Lukas P Feilen, Shu-Yu Chen, Akio Fukumori, Regina Feederle, Martin Zacharias, Harald Steiner
Active site geometry stabilization of a presenilin homolog by the lipid bilayer promotes intramembrane proteolysis. eLife 11 (2022)
Jan O Kaufmann, Julia Brangsch, Avan Kader, Jessica Saatz, Dilyana B Mangarova, Martin Zacharias, Wolfgang E Kempf, Timm Schwaar, Marco Ponader, Lisa C Adams, Jana Möckel, René M Botnar, Matthias Taupitz, Lars Mägdefessel, Heike Traub, Bernd Hamm, Michael G Weller, Marcus R Makowski
ADAMTS4-specific MR probe to assess aortic aneurysms in vivo using synthetic peptide libraries. Nature communications 13 (1) (2022)
Richard L Zschau, Martin Zacharias
Mechanism of β-hairpin formation in AzoChignolin and Chignolin. Journal of computational chemistry (2022)
Andrea Zanotti, João P L Coelho, Dinah Kaylani, Gurdeep Singh, Marina Tauber, Manuel Hitzenberger, Dönem Avci, Martin Zacharias, Robert B Russell, Marius K Lemberg, Matthias J Feige
The human signal peptidase complex acts as a quality control enzyme for membrane proteins. Science (New York, N.Y.) 378 (6623) (2022)
Mirunalini Ravichandran, Dominik Rafalski, Claudia I Davies, Oscar Ortega-Recalde, Xinsheng Nan, Cassandra R Glanfield, Annika Kotter, Katarzyna Misztal, Andrew H Wang, Marek Wojciechowski, Michał Rażew, Issam M Mayyas, Olga Kardailsky, Uwe Schwartz, Krzysztof Zembrzycki, Ian M Morison, Mark Helm, Dieter Weichenhan, Renata Z Jurkowska, Felix Krueger, Christoph Plass, Martin Zacharias, Matthias Bochtler, Timothy Alexander Hore, Tomasz P Jurkowski
Pronounced sequence specificity of the TET enzyme catalytic domain guides its cellular function. Science advances 8 (36) (2022)
Julian Hartmann, Martin Zacharias
Analysis of amyloidogenic transthyretin mutations using continuum solvent free energy calculations. Proteins 90 (12) (2022)
Richard L Zschau, Martin Zacharias
Mechanism of β-hairpin formation in AzoChignolin and Chignolin. Journal of computational chemistry 44 (9) (2022)
Dieter Petit, Manuel Hitzenberger, Matthias Koch, Sam Lismont, Zoltowska Katarzyna Marta, Enzlein Thomas, Carsten Hopf, Martin Zacharias, Chávez-Gutiérrez Lucía
Enzyme-substrate interface targeting by imidazole-based γ-secretase modulators activates γ-secretase and stabilizes its interaction with APP. The EMBO journal 41 (21) (2022)
Ulrich Grupa, Korbinian Liebl, Martin Zacharias
Orientation Dependence of DNA Blunt-End Stacking Studied by Free-Energy Simulations. The journal of physical chemistry. B 125 (51) (2021)
Danial Pourjafar-Dehkordi, Martin Zacharias
Binding induced functional domain motions in the argonaute characterized by adaptive advanced sampling. PLoS computational biology 17 (11) (2021)
Giorgos Gouridis, Yusran A Muthahari, Marijn de Boer, Douglas A Griffith, Alexandra Tsirigotaki, Konstantinos Tassis, Niels Zijlstra, Ruixue Xu, Nikolaos Eleftheriadis, Yovin Sugijo, Martin Zacharias, Alexander Dömling, Spyridoula Karamanou, Charalambos Pozidis, Anastassios Economou, Thorben Cordes
Structural dynamics in the evolution of a bilobed protein scaffold. Proceedings of the National Academy of Sciences of the United States of America 118 (49) (2021)
Korbinian Liebl, Martin Zacharias
Tumuc1: A New Accurate DNA Force Field Consistent with High-Level Quantum Chemistry. Journal of chemical theory and computation 17 (11) (2021)
Korbinian Liebl, Martin Zacharias
Accurate modeling of DNA conformational flexibility by a multivariate Ising model. Proceedings of the National Academy of Sciences of the United States of America 118 (15) (2021)
Danial Pourjafar-Dehkordi, Martin Zacharias
Influence of a Ser111-phosphorylation on Rab1b GTPase conformational dynamics studied by advanced sampling simulations. Proteins 89 (10) (2021)
Julian Hartmann, Martin Zacharias
Mechanism of collagen folding propagation studied by Molecular Dynamics simulations. PLoS computational biology 17 (6) (2021)
Martin Zacharias
Match_Motif: A rapid computational tool to assist in protein-protein interaction design. Protein science : a publication of the Protein Society (2021)
Christina V Frost, Martin Zacharias
From monomer to fibril: Abeta-amyloid binding to Aducanumab antibody studied by molecular dynamics simulation. Proteins 88 (12) (2020)
Sunil Kumar Saini, Tripti Tamhane, Raghavendra Anjanappa, Ankur Saikia, Sofie Ramskov, Marco Donia, Inge Marie Svane, Søren Nyboe Jakobsen, Maria Garcia-Alai, Martin Zacharias, Rob Meijers, Sebastian Springer, Sine Reker Hadrup
Empty peptide-receptive MHC class I molecules for efficient detection of antigen-specific T cells. Science immunology 4 (37) (2020)
Till Siebenmorgen, Martin Zacharias
Efficient Refinement and Free Energy Scoring of Predicted Protein-Protein Complexes Using Replica Exchange with Repulsive Scaling. Journal of chemical information and modeling 60 (11) (2020)
Stefan M Hofmann, Christina V Frost, Tom Podewin, Manuel Gailer, Elisa Weber, Martin Zacharias, Wolfgang Zinth, Anja Hoffmann-Röder
Folding and Unfolding of the Short Light-Triggered β-Hairpin Peptide AzoChignolin Occurs within 100 ns. The journal of physical chemistry. B 124 (25) (2020)
Maximilian Kienlein, Martin Zacharias
Ligand binding and global adaptation of the GlnPQ substrate binding domain 2 revealed by molecular dynamics simulations. Protein science : a publication of the Protein Society 29 (12) (2020)
Martin Zacharias
Base-Pairing and Base-Stacking Contributions to Double-Stranded DNA Formation. The journal of physical chemistry. B 124 (46) (2020)
Korbinian Liebl, Martin Zacharias
How global DNA unwinding causes non-uniform stress distribution and melting of DNA. PloS one 15 (5) (2020)
Hana Dohnalová, Tomáš Dršata, Jiřı Šponer, Martin Zacharias, Jan Lipfert, Filip Lankaš
Compensatory Mechanisms in Temperature Dependence of DNA Double Helical Structure: Bending and Elongation. Journal of chemical theory and computation 16 (4) (2020)
Till Siebenmorgen, Michael Engelhard, Martin Zacharias
Prediction of protein-protein complexes using replica exchange with repulsive scaling. Journal of computational chemistry 41 (15) (2020)
Shu-Yu Chen, Martin Zacharias
How Mutations Perturb γ-Secretase Active Site Studied by Free Energy Simulations. ACS chemical neuroscience 11 (20) (2020)
M Hitzenberger, Martin Zacharias
Structural Modeling of γ-Secretase Aβ n Complex Formation and Substrate Processing. ACS chemical neuroscience 10 (3) (2019)
Christina E M Schindler, Eva Hollenbach, Thomas Mietzner, Klaus-Jürgen Schleifer, Martin Zacharias
Free energy calculations elucidate substrate binding, gating mechanism, and tolerance-promoting mutations in herbicide target 4-hydroxyphenylpyruvate dioxygenase. Protein science : a publication of the Protein Society 28 (6) (2019)
Martin Zacharias
Atomic Resolution Insight into Sac7d Protein Binding to DNA and Associated Global Changes by Molecular Dynamics Simulations. Angewandte Chemie (International ed. in English) 58 (18) (2019)
Glenn Glashagen, Sjoerd de Vries, Urszula Uciechowska-Kaczmarzyk, Sergey A Samsonov, Samuel Murail, Pierre Tuffery, Martin Zacharias
Coarse-grained and atomic resolution biomolecular docking with the ATTRACT approach. Proteins 88 (8) (2019)
Till Siebenmorgen, Martin Zacharias
Evaluation of Predicted Protein-Protein Complexes by Binding Free Energy Simulations. Journal of chemical theory and computation 15 (3) (2019)
Danial Pourjafar-Dehkordi, Sophie Vieweg, Aymelt Itzen, Martin Zacharias
Phosphorylation of Ser111 in Rab8a Modulates Rabin8-Dependent Activation by Perturbation of Side Chain Interaction Networks. Biochemistry 58 (33) (2019)
Manuel Hitzenberger, Martin Zacharias
Uncovering the Binding Mode of γ -Secretase Inhibitors. ACS chemical neuroscience 10 (8) (2019)
Stephanie I Müller, Antonie Friedl, Isabel Aschenbrenner, Julia Esser-von Bieren, Martin Zacharias, Odile Devergne, Matthias J Feige
A folding switch regulates interleukin 27 biogenesis and secretion of its α-subunit as a cytokine. Proceedings of the National Academy of Sciences of the United States of America 116 (5) (2019)
Nadine Schwierz, Christina V Frost, Phillip L Geissler, Martin Zacharias
From Aβ Filament to Fibril: Molecular Mechanism of Surface-Activated Secondary Nucleation from All-Atom MD Simulations. The journal of physical chemistry. B 121 (4) (2017)
Rainer Bomblies, Manuel Patrick Luitz, Sandra Scanu, Tobias Madl, Martin Zacharias
Transient helicity in intrinsically disordered Axin-1 studied by NMR spectroscopy and molecular dynamics simulations. PloS one 12 (3) (2017)
Manuel P Luitz, Anders Barth, Alvaro H Crevenna, Rainer Bomblies, Don C Lamb, Martin Zacharias
Covalent dye attachment influences the dynamics and conformational properties of flexible peptides. PloS one 12 (5) (2017)
Fabian Zeller, Manuel P Luitz, Rainer Bomblies, Martin Zacharias
Multiscale Simulation of Receptor-Drug Association Kinetics: Application to Neuraminidase Inhibitors. Journal of chemical theory and computation 13 (10) (2017)
Tom Podewin, Johannes Broichhagen, Christina Frost, Dieter Groneberg, Julia Ast, Helena Meyer-Berg, Nicholas H F Fine, Andreas Friebe, Martin Zacharias, David J Hodson, Dirk H Trauner, Anja Hoffmann-Röder
Optical control of a receptor-linked guanylyl cyclase using a photoswitchable peptidic hormone. Chemical science 8 (6) (2017)
Korbinian Liebl, Martin Zacharias
Unwinding Induced Melting of Double-Stranded DNA Studied by Free Energy Simulations. The journal of physical chemistry. B 121 (49) (2017)
Zhe Zhang, Uwe Ehmann, Martin Zacharias
Monte Carlo replica-exchange based ensemble docking of protein conformations. Proteins 85 (5) (2017)
Alexander Sasse, Sjoerd J de Vries, Christina E M Schindler, Isaure Chauvot de Beauchêne, Martin Zacharias
Rapid Design of Knowledge-Based Scoring Potentials for Enrichment of Near-Native Geometries in Protein-Protein Docking. PloS one 12 (1) (2017)
Fabian Zeller, Martin Zacharias
Thermodynamics and Kinetics of Nucleobase Stacking Oligomerization Revealed by Molecular Dynamics Simulations. Journal of chemical theory and computation 13 (6) (2017)