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Publications by Jean-Philip Piquemal
Massively Parallel Implementation of Steered Molecular Dynamics in Tinker-Hp: Comparisons of Polarizable and Non-Polarizable Simulations of Realistic Systems
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Accurate Biomolecular Simulations Account for Electronic Polarization
Frontiers in Molecular Biosciences
Biochemistry
Genetics
Molecular Biology
An Optimized Charge Penetration Model for Use With the AMOEBA Force Field
Physical Chemistry Chemical Physics
Theoretical Chemistry
Astronomy
Physics
Physical
Quantum, Classical, and Hybrid QM/MM Calculations in Solution: General Implementation of the ddCOSMO Linear Scaling Strategy
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Further Refinements of Next-Generation Force Fields — Nonempirical Localization of Off-Centered Points in Molecules
Canadian Journal of Chemistry
Organic Chemistry
Catalysis
Chemistry
Reconciling NMR Structures of the HIV-1 Nucleocapsid Protein (NCp7) Using Extensive Polarizable Force Field Free-Energy Simulations
Massively Parallel Implementation of Steered Molecular Dynamics in Tinker-Hp: Comparisons of Polarizable and Non-Polarizable Simulations of Realistic Systems
Anisotropic, Polarizable Molecular Mechanics Studies of Inter- And Intramolecular Interactions and Ligand−Macromolecule Complexes. A Bottom-Up Strategy
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Comments on the Nature of the Bonding in Oxygenated Dinuclear Copper Enzyme Models
Journal of Molecular Structure: THEOCHEM
