Publication & Citation Trends
Publications
0 total
Pharmaceutical Applications of the Polarizable Amoeba Potential, Including Protein-Ligand Binding Affinity and Drug Solubility, using the Force Field X Software OA
Cited by 0
Semantic Scholar
Unraveling interactions in large complex systems using quantum chemistry interpretative techniques and new generation polarizable force fields
Cited by 1
Semantic Scholar
Automation of AMOEBA polarizable force field parameterization for small molecules OA
Cited by 157
Semantic Scholar
Toward accurate solvation dynamics of lanthanides and actinides in water using polarizable force fields: from gas-phase energetics to hydration free energies
Cited by 74
Semantic Scholar
Virtual screening using molecular simulations OA
Cited by 186
Semantic Scholar
Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent. OA
Cited by 37
Semantic Scholar
Polarizable molecular dynamics simulation of Zn(II) in water using the AMOEBA force field. OA
Cited by 149
Semantic Scholar
Correlation of RNA secondary structure statistics with thermodynamic stability and applications to folding. OA
Cited by 28
Semantic Scholar
A transferable coarse-grained model for hydrogen-bonding liquids. OA
Cited by 42
Semantic Scholar
Research Topics
Protein Structure and Dynamics
(5)
Computational Drug Discovery Methods
(4)
Advanced Chemical Physics Studies
(3)
Spectroscopy and Quantum Chemical Studies
(3)
Cancer Genomics and Diagnostics
(3)
Affiliations
Centre National de la Recherche Scientifique
Biogen (United States)
Dalian Institute of Chemical Physics
Chinese Academy of Sciences
Sorbonne Université