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Bioorganic & Medicinal Chemistry · 2009 · 56 citations · 44 references
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MedicineMedicinal ChemistryPharmacologyCell SignalingMolecular PharmacologySignal TransductionNuclear ReceptorsReceptor RegulationReceptor-mediated SignalingRetinoic Acid SignalingRetinoic Acid Receptor SignalingRetinoid Receptor SignalingRetinoid Receptors
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Comparison of simple potential functions for simulating liquid water
William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations
Natural Sciences, Chemistry, Physics +17
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen · Journal of Computational Physics · 1977 · 21.5K citations
Natural Sciences, Chemistry, Physics +11
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly et al. · Journal of the American Chemical Society · 1995 · 13.1K citations
Natural Sciences, Biochemistry, Biophysics +17
A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model
Christopher I. Bayly, Piotr Cieplak, Wendy D. Cornell et al. · The Journal of Physical Chemistry · 1993 · 8.1K citations
Ion-water interaction potentials derived from free energy perturbation simulations
Johan Åqvist · The Journal of Physical Chemistry · 1990 · 1.6K citations
Natural Sciences, Chemistry, Physics +13