MERCADANTE, Davide
MERCADANTE, Davide
DIPARTIMENTO DI FARMACIA
Simulating polyproline II-helix rich peptides with the latest Kirkwood-Buff force field: a direct comparison with AMBER and CHARMM
In corso di stampa Mcivor, J; Larsen, Ds; Mercadante, D
Decoupling of size and shape fluctuations in heteropolymeric sequences reconciles discrepancies in SAXS vs. FRET measurements
2017 Fuertes, Gustavo; Banterlea, Niccolo; Ruff Kiersten, M.; Chowdhury, Aritra; Mercadante, D; Koehler, Christine; Kachala, Michael; Girona Gemma, Estrada; Milles, Sigrid; Mishra, Ankur; Onck Patrick, R.; Graeter, Frauke; Esteban-Martin, Santiago; Pappu Rohit, V.; Svergun Dmitri, I.; Lemke Edward, A.
Two Differential Binding Mechanisms of FG-Nucleoporins and Nuclear Transport Receptors
2018 Tan Piau, Siong; Aramburu Iker, Valle; Mercadante, D; Tyagi, Swati; Chowdhury, Aritra; Spitz, Daniel; Shammas Sarah, L.; Graeter, Frauke; Lemke Edward, A.
Origin of Orthogonality of Strain-Promoted Click Reactions
2015 Wagner Johannes, A.; Mercadante, D; Nikic, Ivana; Lemke Edward, A.; Graeter, Frauke
New insights into the specificity and processivity of two novel pectinases from Verticillium dahliae
2021 Safran, Josip; Habrylo, Olivier; Cherkaoui, Mehdi; Lecomte, Sylvain; Voxeur, Aline; Pilard, Serge; Bassard, Solene; Pau-Roblot, Corinne; Mercadante, D; Pelloux, Jerome; Senechal, Fabien
A proline switch explains kinetic heterogeneity in a coupled folding and binding reaction
2018 Zosel, Franziska; Mercadante, D; Nettels, Daniel; Schuler, Benjamin
A fast recoiling silk-like elastomer facilitates nanosecond nematocyst discharge
2015 Beckmann, Anna; Xiao, Senbo; Mueller Jochen, P.; Mercadante, D; Nuechter, Timm; Kroeger, Niels; Langhojer, Florian; Petrich, Wolfgang; Holstein Thomas, W.; Benoit, Martin; Graeter, Frauke; Oezbek, Suat
Editorial: Advanced Sampling and Modeling in Molecular Simulations for Slow and Large-Scale Biomolecular Dynamics
2021 Chu, Xiakun; Wang, Yong; Tian, Pengfei; Li, Wenfei; Mercadante, D
On the electrophoretic mobilities of partiallycharged oligosaccharides as a function of charge patterning and degree of polymerization
2018 Irani Amir, H.; Mercadante, D; Williams Martin, A. K.
Combined Experimental and Computational Approaches Reveal Distinct pH Dependence of Pectin Methylesterase Inhibitors
2017 Hocq, Ludivine; Senechal, Fabien; Lefebvre, Valerie; Lehner, Arnaud; Domon, Jean-Marc; Mollet, Jean-Claude; Dehors, Jeremy; Pageau, Karine; Marcelo, Paulo; Guerineau, Francois; Kolsek, Katra; Mercadante, D; Pelloux, Jerome
Molecular Dynamics Simulations Illuminate the Role of Counterion Condensation in the Electrophoretic Transport of Homogalacturonans
2017 Irani Amir, H.; Owen Jessie, L.; Mercadante, D; Williams Martin, A. K.
CONAN: A Tool to Decode Dynamical Information from Molecular Interaction Maps
2018 Mercadante, D; Graeter, Frauke; Daday, Csaba
Mechanoradicals in tensed tendon collagen as a source of oxidative stress
2020 Zapp, Christopher; Obarska-Kosinska, Agnieszka; Rennekamp, Benedikt; Kurth, Markus; Hudson David, M.; Mercadante, D; Barayeu, Uladzimir; Dick Tobias, P.; Denysenkov, Vasyl; Prisner, Thomas; Bennati, Marina; Daday, Csaba; Kappl, Reinhard; Graeter, Frauke
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
2016 Kent Lisa, M.; Loo Trevor, S.; Melton Laurence, D.; Mercadante, D; Williams Martin, A. K.; Jameson Geoffrey, B.
Mechanical force can enhance c-Src kinase activity by impairing autoinhibition
2022 Daday, Csaba; de Buhr, Svenja; Mercadante, D; Grater, Frauke
Structural and mechanistic insights into mechanoactivation of focal adhesion kinase
2019 Bauer Magnus, Sebastian; Baumann, Fabian; Daday, Csaba; Redondo, Pilar; Durner, Ellis; Jobst Markus, Andreas; Milles Lukas, Frederik; Mercadante, D; Pippig Diana, Angela; Gaub Hermann, Eduard; Graeter, Frauke; Lietha, Daniel
Structural and dynamical characterization of the pH-dependence of the pectin methylesterase-pectin methylesterase inhibitor complex
2017 Senechal, Fabien; Habrylo, Olivier; Hocq, Ludivine; Domon, Jean-Marc; Marcelo, Paulo; Lefebvre, Valerie; Pelloux, Jerome; Mercadante, D
Kirkwood-Buff Approach Rescues Overcollapse of a Disordered Protein in Canonical Protein Force Fields
2015 Mercadante, D; Milles, Sigrid; Fuertes, Gustavo; Svergun Dmitri, I.; Lemke Edward, A.; Graeter, Frauke
The Cell Wall Arabinose-Deficient Arabidopsis thaliana Mutant murus5 Encodes a Defective Allele of REVERSIBLY GLYCOSYLATED POLYPEPTIDE2
2016 Dugard Christopher, K.; Mertz Rachel, A.; Rayon, Catherine; Mercadante, D; Hart, Christopher; Benatti Matheus, R.; Olek Anna, T.; SanMiguel Phillip, J.; Cooper Bruce, R.; Reiter, Wolf-Dieter; McCann Maureen, C.; Carpita Nicholas, C.
Sampling Long- versus Short-Range Interactions Defines the Ability of Force Fields To Reproduce the Dynamics of Intrinsically Disordered Proteins
2017 Mercadante, D; Wagner Johannes, A.; Aramburu Iker, V.; Lemke Edward, A.; Graeter, Frauke
| Titolo | Tipologia | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|---|
| Simulating polyproline II-helix rich peptides with the latest Kirkwood-Buff force field: a direct comparison with AMBER and CHARMM | 1.1 Articolo in rivista | In corso di stampa | Mcivor, J; Larsen, Ds; Mercadante, D | |
| Decoupling of size and shape fluctuations in heteropolymeric sequences reconciles discrepancies in SAXS vs. FRET measurements | 1.1 Articolo in rivista | 2017 | Fuertes, Gustavo; Banterlea, Niccolo; Ruff Kiersten, M.; Chowdhury, Aritra; Mercadante, D; Koehler, Christine; Kachala, Michael; Girona Gemma, Estrada; Milles, Sigrid; Mishra, Ankur; Onck Patrick, R.; Graeter, Frauke; Esteban-Martin, Santiago; Pappu Rohit, V.; Svergun Dmitri, I.; Lemke Edward, A. | |
| Two Differential Binding Mechanisms of FG-Nucleoporins and Nuclear Transport Receptors | 1.1 Articolo in rivista | 2018 | Tan Piau, Siong; Aramburu Iker, Valle; Mercadante, D; Tyagi, Swati; Chowdhury, Aritra; Spitz, Daniel; Shammas Sarah, L.; Graeter, Frauke; Lemke Edward, A. | |
| Origin of Orthogonality of Strain-Promoted Click Reactions | 1.1 Articolo in rivista | 2015 | Wagner Johannes, A.; Mercadante, D; Nikic, Ivana; Lemke Edward, A.; Graeter, Frauke | |
| New insights into the specificity and processivity of two novel pectinases from Verticillium dahliae | 1.1 Articolo in rivista | 2021 | Safran, Josip; Habrylo, Olivier; Cherkaoui, Mehdi; Lecomte, Sylvain; Voxeur, Aline; Pilard, Serge; Bassard, Solene; Pau-Roblot, Corinne; Mercadante, D; Pelloux, Jerome; Senechal, Fabien | |
| A proline switch explains kinetic heterogeneity in a coupled folding and binding reaction | 1.1 Articolo in rivista | 2018 | Zosel, Franziska; Mercadante, D; Nettels, Daniel; Schuler, Benjamin | |
| A fast recoiling silk-like elastomer facilitates nanosecond nematocyst discharge | 1.1 Articolo in rivista | 2015 | Beckmann, Anna; Xiao, Senbo; Mueller Jochen, P.; Mercadante, D; Nuechter, Timm; Kroeger, Niels; Langhojer, Florian; Petrich, Wolfgang; Holstein Thomas, W.; Benoit, Martin; Graeter, Frauke; Oezbek, Suat | |
| Editorial: Advanced Sampling and Modeling in Molecular Simulations for Slow and Large-Scale Biomolecular Dynamics | 1.1 Articolo in rivista | 2021 | Chu, Xiakun; Wang, Yong; Tian, Pengfei; Li, Wenfei; Mercadante, D | |
| On the electrophoretic mobilities of partiallycharged oligosaccharides as a function of charge patterning and degree of polymerization | 1.1 Articolo in rivista | 2018 | Irani Amir, H.; Mercadante, D; Williams Martin, A. K. | |
| Combined Experimental and Computational Approaches Reveal Distinct pH Dependence of Pectin Methylesterase Inhibitors | 1.1 Articolo in rivista | 2017 | Hocq, Ludivine; Senechal, Fabien; Lefebvre, Valerie; Lehner, Arnaud; Domon, Jean-Marc; Mollet, Jean-Claude; Dehors, Jeremy; Pageau, Karine; Marcelo, Paulo; Guerineau, Francois; Kolsek, Katra; Mercadante, D; Pelloux, Jerome | |
| Molecular Dynamics Simulations Illuminate the Role of Counterion Condensation in the Electrophoretic Transport of Homogalacturonans | 1.1 Articolo in rivista | 2017 | Irani Amir, H.; Owen Jessie, L.; Mercadante, D; Williams Martin, A. K. | |
| CONAN: A Tool to Decode Dynamical Information from Molecular Interaction Maps | 1.1 Articolo in rivista | 2018 | Mercadante, D; Graeter, Frauke; Daday, Csaba | |
| Mechanoradicals in tensed tendon collagen as a source of oxidative stress | 1.1 Articolo in rivista | 2020 | Zapp, Christopher; Obarska-Kosinska, Agnieszka; Rennekamp, Benedikt; Kurth, Markus; Hudson David, M.; Mercadante, D; Barayeu, Uladzimir; Dick Tobias, P.; Denysenkov, Vasyl; Prisner, Thomas; Bennati, Marina; Daday, Csaba; Kappl, Reinhard; Graeter, Frauke | |
| 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 | 1.1 Articolo in rivista | 2016 | Kent Lisa, M.; Loo Trevor, S.; Melton Laurence, D.; Mercadante, D; Williams Martin, A. K.; Jameson Geoffrey, B. | |
| Mechanical force can enhance c-Src kinase activity by impairing autoinhibition | 1.1 Articolo in rivista | 2022 | Daday, Csaba; de Buhr, Svenja; Mercadante, D; Grater, Frauke | |
| Structural and mechanistic insights into mechanoactivation of focal adhesion kinase | 1.1 Articolo in rivista | 2019 | Bauer Magnus, Sebastian; Baumann, Fabian; Daday, Csaba; Redondo, Pilar; Durner, Ellis; Jobst Markus, Andreas; Milles Lukas, Frederik; Mercadante, D; Pippig Diana, Angela; Gaub Hermann, Eduard; Graeter, Frauke; Lietha, Daniel | |
| Structural and dynamical characterization of the pH-dependence of the pectin methylesterase-pectin methylesterase inhibitor complex | 1.1 Articolo in rivista | 2017 | Senechal, Fabien; Habrylo, Olivier; Hocq, Ludivine; Domon, Jean-Marc; Marcelo, Paulo; Lefebvre, Valerie; Pelloux, Jerome; Mercadante, D | |
| Kirkwood-Buff Approach Rescues Overcollapse of a Disordered Protein in Canonical Protein Force Fields | 1.1 Articolo in rivista | 2015 | Mercadante, D; Milles, Sigrid; Fuertes, Gustavo; Svergun Dmitri, I.; Lemke Edward, A.; Graeter, Frauke | |
| The Cell Wall Arabinose-Deficient Arabidopsis thaliana Mutant murus5 Encodes a Defective Allele of REVERSIBLY GLYCOSYLATED POLYPEPTIDE2 | 1.1 Articolo in rivista | 2016 | Dugard Christopher, K.; Mertz Rachel, A.; Rayon, Catherine; Mercadante, D; Hart, Christopher; Benatti Matheus, R.; Olek Anna, T.; SanMiguel Phillip, J.; Cooper Bruce, R.; Reiter, Wolf-Dieter; McCann Maureen, C.; Carpita Nicholas, C. | |
| Sampling Long- versus Short-Range Interactions Defines the Ability of Force Fields To Reproduce the Dynamics of Intrinsically Disordered Proteins | 1.1 Articolo in rivista | 2017 | Mercadante, D; Wagner Johannes, A.; Aramburu Iker, V.; Lemke Edward, A.; Graeter, Frauke |