Revised AMBER Parameters for Bioorganic Phosphates von Steinbrecher, T, Latzer, J, Case, D. A

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Small molecule hydration energy and entropy from 3D-RISM von Johnson, J, Case, D A, Yamazaki, T, Gusarov, S, Kovalenko, A, Luchko, T

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Calculating Structures and Free Energies of Complex Molecules:  Combining Molecular Mechanics and Continuum Models von Kollman, Peter A, Massova, Irina, Reyes, Carolina, Kuhn, Bernd, Huo, Shuanghong, Chong, Lillian, Lee, Matthew, Lee, Taisung, Duan, Yong, Wang, Wei, Donini, Oreola, Cieplak, Piotr, Srinivasan, Jaysharee, Case, David A, Cheatham, Thomas E

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A Novel View of pH Titration in Biomolecules von Onufriev, Alexey, Case, David A, Ullmann, G. Matthias

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Structural basis for DNA bending by the architectural transcription factor LEF-1 von Love, John J, Li, Xiang, Case, David A, Giese, Klaus, Crosschedl, Rudolf, Wright, Peter E

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Spin Densities and Spin Coupling in Iron-Sulfur Clusters: A New Analysis of Hyperfine Coupling Constants von Mouesca, J.-M, Noodleman, L, Case, D. A, Lamotte, B

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Generalized born models of macromolecular solvation effects von Bashford, D, Case, D A

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Use of chemical shifts in macromolecular structure determination von Wishart, D S, Case, D A

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Theory and applications of the generalized born solvation model in macromolecular simulations von Tsui, Vickie, Case, David A.

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Adding Harmonic Motion to the Karplus Relation for Spin-Spin Coupling von Brueschweiler, R, Case, D. A

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FeMo cofactor of nitrogenase: a density functional study of states M(N), M(OX), M(R), and M(I) von Lovell, T, Li, J, Liu, T, Case, D A, Noodleman, L

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Domain packing and dynamics in the DNA complex of the N-terminal zinc fingers of TFIIIA von Foster, Mark P, Wuttke, Deborah S, Radhakrishnan, Ishwar, Case, David A, Gottesfeld, Joel M, Wright, Peter E

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RNAMotif, an RNA secondary structure definition and search algorithm von Macke, T J, Ecker, D J, Gutell, R R, Gautheret, D, Case, D A, Sampath, R

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Three-Dimensional Solution Structure of a Single Zinc Finger DNA-Binding Domain von Lee, Min S., Gippert, Garry P., Soman, Kizhake V., Case, David A., Wright, Peter E.

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Langevin modes of macromolecules: Applications to crambin and DNA hexamers von Kottalam, J., Case, D. A.

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Optimized particle-mesh Ewald/multiple-time step integration for molecular dynamics simulations von Batcho, Paul F., Case, David A., Schlick, Tamar

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Orbital interactions, electron delocalization and spin coupling in iron-sulfur clusters von Noodleman, L., Peng, C.Y., Case, D.A., Mouesca, J.-M.

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Calculations of NMR dipolar coupling strengths in model peptides von Case, D A

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Unfolding of an α-helix in water von Soman, Kizhake V., Karimi, Afshin, Case, David A.

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Interpretation of chemical shifts and coupling constants in macromolecules von Case, David A

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