James W. Caldwell
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Protein Structure and Dynamics, Spectroscopy and Quantum Chemical Studies, DNA and Nucleic Acid Chemistry, Enzyme Structure and Function
Most-Cited Works
- → Development and testing of a general amber force field(2004)19,029 cited
- → A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules(1995)13,076 cited
- → A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations(2003)4,449 cited
- → AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules(1995)3,114 cited
- → A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules J. Am. Chem. Soc. 1995, 117, 5179−5197(1996)540 cited
- → Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and N-Methylacetamide(1995)479 cited
- → Molecular mechanical models for organic and biological systems going beyond the atom centered two body additive approximation: aqueous solution free energies of methanol and N‐methyl acetamide, nucleic acid base, and amide hydrogen bonding and chloroform/water partition coefficients of the nucleic acid bases(2001)442 cited
- → Ion solvation in polarizable water: molecular dynamics simulations(1991)373 cited
- → Implementation of nonadditive intermolecular potentials by use of molecular dynamics: development of a water-water potential and water-ion cluster interactions(1990)365 cited
- → Cation-.pi. Interactions: Nonadditive Effects Are Critical in Their Accurate Representation(1995)307 cited