Pseudobond parameters for QM/MM studies involving nucleosides, nucleotides, and their analogs

Por Chaudret, Robin, Parks, Jerry M., Yang, Weitao
Publicado em 2013

Noncovalent Interaction Analysis in Fluctuating Environments

Por Wu, Pan, Chaudret, Robin, Hu, Xiangqian, Yang, Weitao
Publicado em 2013

Polarizable molecular dynamics simulation of Zn(II) in water using the AMOEBA force field

Por Wu, Johnny C., Piquemal, Jean-Philip, Chaudret, Robin, Reinhardt, Peter, Ren, Pengyu
Publicado em 2010

Catalytic Mechanism of 4-Oxalocrotonate Tautomerase: Significances of Protein-Protein Interactions on Proton Transfer Pathways

Por Wu, Pan, Cisneros, G. Andrés, Hu, Hao, Chaudret, Robin, Hu, Xiangqian, Yang, Weitao
Publicado em 2012

Revisiting H(2)O Nucleation around Au(+) and Hg(2+): The Peculiar “Pseudo-Soft” Character of the Gold Cation

Por Chaudret, Robin, Contreras-Garcia, Julia, Delcey, Mickaël, Parisel, Olivier, Yang, Weitao, Piquemal, Jean-Philip
Publicado em 2014

Coupling quantum interpretative techniques: another look at chemical mechanisms in organic reactions

Por Gillet, Natacha, Chaudret, Robin, Contreras-Garcίa, Julia, Yang, Weitao, Silvi, Bernard, Piquemal, Jean-Philip
Publicado em 2012

NCIPLOT: a program for plotting non-covalent interaction regions

Por Contreras-García, Julia, Johnson, Erin R., Keinan, Shahar, Chaudret, Robin, Piquemal, Jean-Philip, Beratan, David N., Yang, Weitao
Publicado em 2011