Quantum Mechanical Study of Aqueous Polarization Effects on Biological Macromolecules
- 1 January 1996
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 118 (44) , 10940-10941
- https://doi.org/10.1021/ja961937w
Abstract
No abstract availableKeywords
This publication has 13 references indexed in Scilit:
- A density-matrix divide-and-conquer approach for electronic structure calculations of large moleculesThe Journal of Chemical Physics, 1995
- Theory of electrostatic interactions in macromoleculesCurrent Opinion in Structural Biology, 1995
- Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the SolventChemical Reviews, 1994
- COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradientJournal of the Chemical Society, Perkin Transactions 2, 1993
- A Priori Evaluation of Aqueous Polarization Effects through Monte Carlo QM-MM SimulationsScience, 1992
- An SCF Solvation Model for the Hydrophobic Effect and Absolute Free Energies of Aqueous SolvationScience, 1992
- New Methods For Electronic Structure Calculations on Large MoleculesAnnual Review of Physical Chemistry, 1991
- Semiempirical Molecular Orbital MethodsReviews in Computational Chemistry, 1990
- Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular modelJournal of the American Chemical Society, 1985
- A new force field for molecular mechanical simulation of nucleic acids and proteinsJournal of the American Chemical Society, 1984