“Mining Minima”: Direct Computation of Conformational Free Energy
- 1 February 1997
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 101 (8) , 1609-1618
- https://doi.org/10.1021/jp963817g
Abstract
No abstract availableThis publication has 30 references indexed in Scilit:
- Effective Methods for Estimation of Binding Energies in Computer-Aided Drug DesignIsrael Journal of Chemistry, 1994
- Macroscopic models of aqueous solutions: biological and chemical applicationsThe Journal of Physical Chemistry, 1993
- Computational AlchemyAnnual Review of Physical Chemistry, 1992
- Atomic solvation parameters applied to molecular dynamics of proteins in solutionProtein Science, 1992
- Oscillatory behavior of a Belousov-Zhabotinskii reverse micelle systemThe Journal of Physical Chemistry, 1990
- Free Energy Via Molecular Simulation: Applications to Chemical and Biomolecular SystemsAnnual Review of Biophysics, 1989
- Thermochemistry of charge-transfer complexes. 1. Enthalpy of formation of charge-transfer complexes of molecular iodine with chlorinated benzene derivativesThe Journal of Physical Chemistry, 1988
- Calculation of the total electrostatic energy of a macromolecular system: Solvation energies, binding energies, and conformational analysisProteins-Structure Function and Bioinformatics, 1988
- Free Energy Calculations by Computer SimulationScience, 1987
- Phosphorothioite method. 1. A new type of internucleotidic bond formation involving simultaneous oxidation process by use of deoxyoligonucleoside phosphorothioites as new key intermediates for deoxyoligonucleotide synthesisJournal of the American Chemical Society, 1986