Literature DB >> 11849023

Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics.

Christopher J. Cramer1, Donald G. Truhlar.   

Abstract

Year:  1999        PMID： 11849023     DOI： 10.1021/cr960149m

Source DB:  PubMed          Journal:  Chem Rev        ISSN： 0009-2665            Impact factor:   60.622


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  221 in total

1.  Local conformational variations observed in B-DNA crystals do not improve base stacking: computational analysis of base stacking in a d(CATGGGCCCATG)(2) B<-->A intermediate crystal structure.

Authors:  J Poner; J Florián; H L Ng; J E Poner; N Packová
Journal:  Nucleic Acids Res       Date:  2000-12-15       Impact factor: 16.971

2.  Molecular simulation study of cooperativity in hydrophobic association.

Authors:  C Czaplewski; S Rodziewicz-Motowidło; A Liwo; D R Ripoll; R J Wawak; H A Scheraga
Journal:  Protein Sci       Date:  2000-06       Impact factor: 6.725

3.  Statistical potentials for fold assessment.

Authors:  Francisco Melo; Roberto Sánchez; Andrej Sali
Journal:  Protein Sci       Date:  2002-02       Impact factor: 6.725

4.  Comparison of protein solution structures refined by molecular dynamics simulation in vacuum, with a generalized Born model, and with explicit water.

Authors:  Bin Xia; Vickie Tsui; David A Case; H Jane Dyson; Peter E Wright
Journal:  J Biomol NMR       Date:  2002-04       Impact factor: 2.835

Review 5.  Non-heme iron enzymes: contrasts to heme catalysis.

Authors:  Edward I Solomon; Andrea Decker; Nicolai Lehnert
Journal:  Proc Natl Acad Sci U S A       Date:  2003-02-21       Impact factor: 11.205

6.  Accurate representation of B-DNA double helical structure with implicit solvent and counterions.

Authors:  Lihua Wang; Brian E Hingerty; A R Srinivasan; Wilma K Olson; Suse Broyde
Journal:  Biophys J       Date:  2002-07       Impact factor: 4.033

7.  Molecular crystals: the crystal field effect on molecular electronic structure.

Authors:  Alexandr V Yatsenko
Journal:  J Mol Model       Date:  2003-07-01       Impact factor: 1.810

8.  Differential geometry based solvation model. III. Quantum formulation.

Authors:  Zhan Chen; Guo-Wei Wei
Journal:  J Chem Phys       Date:  2011-11-21       Impact factor: 3.488

9.  Solvation free energies of alanine peptides: the effect of flexibility.

Authors:  Hironori Kokubo; Robert C Harris; Dilipkumar Asthagiri; B Montgomery Pettitt
Journal:  J Phys Chem B       Date:  2013-12-13       Impact factor: 2.991

10.  Applications of MMPBSA to Membrane Proteins I: Efficient Numerical Solutions of Periodic Poisson-Boltzmann Equation.

Authors:  Wesley M Botello-Smith; Ray Luo
Journal:  J Chem Inf Model       Date:  2015-10-05       Impact factor: 4.956
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