Search Results - "de Sancho, David"

Mechanism of O2 diffusion and reduction in FeFe hydrogenases by Kubas, Adam, Orain, Christophe, De Sancho, David, Saujet, Laure, Sensi, Matteo, Gauquelin, Charles, Meynial-Salles, Isabelle, Soucaille, Philippe, Bottin, Hervé, Baffert, Carole, Fourmond, Vincent, Best, Robert B., Blumberger, Jochen, Léger, Christophe

“…FeFe hydrogenases are the most efficient H 2 -producing enzymes. However, inactivation by O 2 remains an obstacle that prevents them being used in many…”
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Aerobic Damage to [FeFe]-Hydrogenases: Activation Barriers for the Chemical Attachment of O2 by Kubas, Adam, De Sancho, David, Best, Robert B., Blumberger, Jochen

“…[FeFe]‐hydrogenases are the best natural hydrogen‐producing enzymes but their biotechnological exploitation is hampered by their extreme oxygen sensitivity…”
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Resurrection of efficient Precambrian endoglucanases for lignocellulosic biomass hydrolysis by Barruetabeña, Nerea, Alonso-Lerma, Borja, Galera-Prat, Albert, Joudeh, Nadeem, Barandiaran, Leire, Aldazabal, Leire, Arbulu, Maria, Alcalde, Miguel, De Sancho, David, Gavira, Jose A., Carrion-Vazquez, Mariano, Perez-Jimenez, Raul

“…Cellulases catalyze the hydrolysis of cellulose. Improving their catalytic efficiency is a long-standing goal in biotechnology given the interest in…”
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MasterMSM: A Package for Constructing Master Equation Models of Molecular Dynamics by de Sancho, David, Aguirre, Anne

“…Markov state models (MSMs) have become one of the most important techniques for understanding biomolecular transitions from classical molecular dynamics (MD)…”
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Molecular origins of internal friction effects on protein-folding rates by de Sancho, David, Sirur, Anshul, Best, Robert B.

“…Recent experiments on protein-folding dynamics have revealed strong evidence for internal friction effects. That is, observed relaxation times are not simply…”
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Mechanical architecture and folding of E. coli type 1 pilus domains by Alonso-Caballero, Alvaro, Schönfelder, Jörg, Poly, Simon, Corsetti, Fabiano, De Sancho, David, Artacho, Emilio, Perez-Jimenez, Raul

“…Uropathogenic Escherichia coli attach to tissues using pili type 1. Each pilus is composed by thousands of coiled FimA domains followed by the domains of the…”
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Residue-Specific α-Helix Propensities from Molecular Simulation by Best, Robert B., de Sancho, David, Mittal, Jeetain

“…Formation of α-helices is a fundamental process in protein folding and assembly. By studying helix formation in molecular simulations of a series of…”
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Interplay between partner and ligand facilitates the folding and binding of an intrinsically disordered protein by Rogers, Joseph M., Oleinikovas, Vladimiras, Shammas, Sarah L., Wong, Chi T., De Sancho, David, Baker, Christopher M., Clarke, Jane

“…Significance Specific protein–protein interactions are abundant in, and essential for, cellular life. In contrast to the well-studied docking of two already…”
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Integrated prediction of protein folding and unfolding rates from only size and structural class by De Sancho, David, Muñoz, Victor

“…Protein stability, folding and unfolding rates are all determined by the multidimensional folding free energy surface, which in turn is dictated by factors…”
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Instrumental Effects in the Dynamics of an Ultrafast Folding Protein under Mechanical Force by De Sancho, David, Schönfelder, Jörg, Best, Robert B, Perez-Jimenez, Raul, Muñoz, Victor

“…The analysis and interpretation of single molecule force spectroscopy (smFS) experiments is often complicated by hidden effects from the measuring device. Here…”
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Aerobic Damage to [FeFe]‐Hydrogenases: Activation Barriers for the Chemical Attachment of O 2 by Kubas, Adam, De Sancho, David, Best, Robert B., Blumberger, Jochen

“…Abstract [FeFe]‐hydrogenases are the best natural hydrogen‐producing enzymes but their biotechnological exploitation is hampered by their extreme oxygen…”
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An Abl-FBP17 mechanosensing system couples local plasma membrane curvature and stress fiber remodeling during mechanoadaptation by Echarri, Asier, Pavón, Dácil M., Sánchez, Sara, García-García, María, Calvo, Enrique, Huerta-López, Carla, Velázquez-Carreras, Diana, Viaris de Lesegno, Christine, Ariotti, Nicholas, Lázaro-Carrillo, Ana, Strippoli, Raffaele, De Sancho, David, Alegre-Cebollada, Jorge, Lamaze, Christophe, Parton, Robert G., Del Pozo, Miguel A.

“…Cells remodel their structure in response to mechanical strain. However, how mechanical forces are translated into biochemical signals that coordinate the…”
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Slow Folding of a Helical Protein: Large Barriers, Strong Internal Friction, or a Shallow, Bumpy Landscape? by Subramanian, Sandhyaa, Golla, Hemashree, Divakar, Kalivarathan, Kannan, Adithi, de Sancho, David, Naganathan, Athi N

“…The rate at which a protein molecule folds is determined by opposing energetic and entropic contributions to the free energy that shape the folding landscape…”
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Bridging Experiments and Native-Centric Simulations of a Downhill Folding Protein by Naganathan, Athi N, De Sancho, David

“…Experiments and atomistic simulations have independently contributed to the mechanistic understanding of protein folding. However, a coherent detailed picture…”
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Compliant mechanical response of the ultrafast folding protein EnHD under force by Reifs, Antonio, Ruiz Ortiz, Irene, Saa, Amaia Ochandorena, Schönfelder, Jörg, De Sancho, David, Muñoz, Victor, Perez-Jimenez, Raul

“…Ultrafast folding proteins have become an important paradigm in the study of protein folding dynamics. Due to their low energetic barriers and fast kinetics,…”
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Reversible two-state folding of the ultrafast protein gpW under mechanical force by Schönfelder, Jörg, De Sancho, David, Berkovich, Ronen, Best, Robert B., Muñoz, Victor, Perez-Jimenez, Raul

“…Ultrafast folding proteins have limited cooperativity and thus are excellent models to resolve, via single-molecule experiments, the fleeting molecular events…”
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Phase separation in amino acid mixtures is governed by composition by De Sancho, David

“…Macromolecular phase separation has recently come to immense prominence as it is central to the formation of membraneless organelles, leading to a new paradigm…”
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Energy minimizations with a combination of two knowledge-based potentials for protein folding by de Sancho, David, Rey, Antonio

“…New force fields that are both simple and accurate are needed for computationally efficient molecular simulation studies to give insight into the actual…”
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Thermodynamics of Go-type models for protein folding by Prieto, Lidia, de Sancho, David, Rey, Antonio

“…Go-type potentials, based on the inter-residue contacts present in the native structure of a protein, are frequently used to predict dynamic and structural…”
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Prediction of Folding and Unfolding Rates of Proteins with Simple Models by De Sancho, David, Muñoz, Victor

“…Large differences exist between the experimentally measured folding and unfolding rates in single-domain proteins, which range from seconds to microseconds…”
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