Interaction of Chondroitin and Hyaluronan Glycosaminoglycans with Surfaces of Carboxylated Carbon Nanotubes Studied Using Molecular Dynamics Simulations

por Panczyk, Tomasz, Plazinski, Wojciech, Dupradeau, François-Yves, Brzyska, Agnieszka, Wolski, Pawel
Publicado 2023

DNA oligonucleotides with A, T, G or C opposite an abasic site: structure and dynamics

por Chen, Jingyang, Dupradeau, François-Yves, Case, David A., Turner, Christopher J., Stubbe, JoAnne
Publicado 2008

R.E.DD.B.: A database for RESP and ESP atomic charges, and force field libraries

por Dupradeau, François-Yves, Cézard, Christine, Lelong, Rodolphe, Stanislawiak, Élodie, Pêcher, Julien, Delepine, Jean Charles, Cieplak, Piotr
Publicado 2008

R.E.D. Server: a web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments

por Vanquelef, Enguerran, Simon, Sabrina, Marquant, Gaelle, Garcia, Elodie, Klimerak, Geoffroy, Delepine, Jean Charles, Cieplak, Piotr, Dupradeau, François-Yves
Publicado 2011