Search Results - "Fabian, Paul"

Conformational selection in protein binding and function by Weikl, Thomas R., Paul, Fabian

“…Protein binding and function often involves conformational changes. Advanced nuclear magnetic resonance (NMR) experiments indicate that these conformational…”
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Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations by Paul, Fabian, Wehmeyer, Christoph, Abualrous, Esam T., Wu, Hao, Crabtree, Michael D., Schöneberg, Johannes, Clarke, Jane, Freund, Christian, Weikl, Thomas R., Noé, Frank

“…Understanding and control of structures and rates involved in protein ligand binding are essential for drug design. Unfortunately, atomistic molecular dynamics…”
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Identification of slow molecular order parameters for Markov model construction by Pérez-Hernández, Guillermo, Paul, Fabian, Giorgino, Toni, De Fabritiis, Gianni, Noé, Frank

“…A goal in the kinetic characterization of a macromolecular system is the description of its slow relaxation processes via (i) identification of the structural…”
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Multiensemble Markov models of molecular thermodynamics and kinetics by Wu, Hao, Paul, Fabian, Wehmeyer, Christoph, Noé, Frank

“…We introduce the general transition-based reweighting analysis method (TRAM), a statistically optimal approach to integrate both unbiased and biased molecular…”
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Polymerization and editing modes of a high-fidelity DNA polymerase are linked by a well-defined path by Dodd, Thomas, Botto, Margherita, Paul, Fabian, Fernandez-Leiro, Rafael, Lamers, Meindert H., Ivanov, Ivaylo

“…Proofreading by replicative DNA polymerases is a fundamental mechanism ensuring DNA replication fidelity. In proofreading, mis-incorporated nucleotides are…”
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PyEMMA 2: A Software Package for Estimation, Validation, and Analysis of Markov Models by Scherer, Martin K, Trendelkamp-Schroer, Benjamin, Paul, Fabian, Pérez-Hernández, Guillermo, Hoffmann, Moritz, Plattner, Nuria, Wehmeyer, Christoph, Prinz, Jan-Hendrik, Noé, Frank

“…Markov (state) models (MSMs) and related models of molecular kinetics have recently received a surge of interest as they can systematically reconcile…”
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Combining experimental and simulation data of molecular processes via augmented Markov models by Olsson, Simon, Wu, Hao, Paul, Fabian, Clementi, Cecilia, Noé, Frank

“…Accurate mechanistic description of structural changes in biomolecules is an increasingly important topic in structural and chemical biology. Markov models…”
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Diversity of Long-Lived Intermediates along the Binding Pathway of Imatinib to Abl Kinase Revealed by MD Simulations by Paul, Fabian, Thomas, Trayder, Roux, Benoît

“…Imatinib, a drug used for the treatment of chronic myeloid leukemia and other cancers, works by blocking the catalytic site of pathological constitutively…”
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How to Distinguish Conformational Selection and Induced Fit Based on Chemical Relaxation Rates by Paul, Fabian, Weikl, Thomas R

“…Protein binding often involves conformational changes. Important questions are whether a conformational change occurs prior to a binding event ('conformational…”
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Correction: Bayesian inference of kinetic schemes for ion channels by Kalman filtering by Münch, Jan L, Paul, Fabian, Schmauder, Ralf, Benndorf, Klaus

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Dose response of running on blood biomarkers of wellness in generally healthy individuals by Nogal, Bartek, Vinogradova, Svetlana, Jorge, Milena, Torkamani, Ali, Fabian, Paul, Blander, Gil

“…Exercise is effective toward delaying or preventing chronic disease, with a large body of evidence supporting its effectiveness. However, less is known about…”
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Sonic hedgehog lineage in the mouse hypothalamus: from progenitor domains to hypothalamic regions by Alvarez-Bolado, Gonzalo, Paul, Fabian A, Blaess, Sandra

“…The hypothalamus is a brain region with essential functions for homeostasis and energy metabolism, and alterations of its development can contribute to…”
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Bayesian inference of kinetic schemes for ion channels by Kalman filtering by Münch, Jan L, Paul, Fabian, Schmauder, Ralf, Benndorf, Klaus

“…Inferring adequate kinetic schemes for ion channel gating from ensemble currents is a daunting task due to limited information in the data. We address this…”
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Author Correction: Protein-peptide association kinetics beyond the seconds timescale from atomistic simulations by Paul, Fabian, Wehmeyer, Christoph, Abualrous, Esam T., Wu, Hao, Crabtree, Michael D., Schöneberg, Johannes, Clarke, Jane, Freund, Christian, Weikl, Thomas R., Noé, Frank

“…In the original version of this Article, the Acknowledgement section omitted financial support from the Deutsche Forschungsgemeinschaft grant SFB 958/A4. This…”
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Balancing WNT signalling in early forebrain development: The role of LRP4 as a modulator of LRP6 function by Geng, Shuang, Paul, Fabian, Kowalczyk, Izabela, Raimundo, Sandra, Sporbert, Anje, Mamo, Tamrat Meshka, Hammes, Annette

“…The specification of the forebrain relies on the precise regulation of WNT/ß-catenin signalling to support neuronal progenitor cell expansion, patterning, and…”
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Differential requirements for Gli2 and Gli3 in the regional specification of the mouse hypothalamus by Haddad-Tóvolli, Roberta, Paul, Fabian A, Zhang, Yuanfeng, Zhou, Xunlei, Theil, Thomas, Puelles, Luis, Blaess, Sandra, Alvarez-Bolado, Gonzalo

“…Secreted protein Sonic hedgehog (Shh) ventralizes the neural tube by modulating the crucial balance between activating and repressing functions (GliA, GliR) of…”
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Corrigendum: Differential requirements for Gli2 and Gli3 in the regional specification of the mouse hypothalamus by Haddad-Tóvolli, Roberta, Paul, Fabian A, Zhang, Yuanfeng, Zhou, Xunlei, Theil, Thomas, Puelles, Luis, Blaess, Sandra, Alvarez-Bolado, Gonzalo

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Design principles of Markov state models and variational string method for protein-protein interactions by He, Ziwei, Paul, Fabian, Roux, Benoit

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Electrical and Mechanical Characterizations of Nanocomposite Insulation for HTS Systems by Walsh, J K, Fabian, P E, Hooker, M W, Lizotte, M J, Tuncer, E, Sauers, I

“…As HTS wire technology continues to advance, a critical need has emerged for dielectric materials that can be used in superconducting components such as…”
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Identification of Druggable Kinase Target Conformations Using Markov Model Metastable States Analysis of apo-Abl by Paul, Fabian, Meng, Yilin, Roux, Benoît

“…Kinases are important targets for drug development. However, accounting for the impact of possible structural rearrangements on the binding of kinase…”
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