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Showing 1 to 12 of 125 entries
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Stability of controlled biological systems.

Journal of theoretical biology

Walter C.
PMID: 5798216
J Theor Biol. 1969 Apr;23(1):23-38. doi: 10.1016/0022-5193(69)90065-4.

No abstract available.

Bounds on the populations in the Dreitlein-Smoes model of oscillatory kinetic systems.

Bulletin of mathematical biology

Fizell RG, Rubin PE.
PMID: 990546
Bull Math Biol. 1976;38(6):623-31. doi: 10.1007/BF02458637.

No abstract available.

Critical points of the O(n) loop model on the martini and the 3-12 lattices.

Physical review. E, Statistical, nonlinear, and soft matter physics

Ding C, Fu Z, Guo W.
PMID: 23005148
Phys Rev E Stat Nonlin Soft Matter Phys. 2012 Jun;85(6):062101. doi: 10.1103/PhysRevE.85.062101. Epub 2012 Jun 19.

We derive the critical line of the O(n) loop model on the martini lattice as a function of the loop weight n basing on the critical points on the honeycomb lattice conjectured by Nienhuis [Phys. Rev. Lett. 49, 1062...

Machine Learning Estimation of Atom Condensed Fukui Functions.

Molecular informatics

Zhang Q, Zheng F, Zhao T, Qu X, Aires-de-Sousa J.
PMID: 27491791
Mol Inform. 2016 Feb;35(2):62-9. doi: 10.1002/minf.201500113. Epub 2015 Nov 24.

To enable the fast estimation of atom condensed Fukui functions, machine learning algorithms were trained with databases of DFT pre-calculated values for ca. 23,000 atoms in organic molecules. The problem was approached as the ranking of atom types with...

Molecular Simulations.

Methods of biochemical analysis

[No authors listed]
PMID: 26173319
Methods Biochem Anal. 2015;55:357-81. doi: 10.1002/9781118859148.ch16.

No abstract available.

Predicting the Reliability of Drug-target Interaction Predictions with Maximum Coverage of Target Space.

Scientific reports

Peón A, Naulaerts S, Ballester PJ.
PMID: 28630414
Sci Rep. 2017 Jun 19;7(1):3820. doi: 10.1038/s41598-017-04264-w.

Many computational methods to predict the macromolecular targets of small organic molecules have been presented to date. Despite progress, target prediction methods still have important limitations. For example, the most accurate methods implicitly restrict their predictions to a relatively...

Large-scale dynamo growth rates from numerical simulations and implications for mean-field theories.

Physical review. E, Statistical, nonlinear, and soft matter physics

Park K, Blackman EG, Subramanian K.
PMID: 23767646
Phys Rev E Stat Nonlin Soft Matter Phys. 2013 May;87(5):053110. doi: 10.1103/PhysRevE.87.053110. Epub 2013 May 28.

Understanding large-scale magnetic field growth in turbulent plasmas in the magnetohydrodynamic limit is a goal of magnetic dynamo theory. In particular, assessing how well large-scale helical field growth and saturation in simulations match those predicted by existing theories is...

Statistical mechanics of two-dimensional shuffled foams: geometry-topology correlation in small or large disorder limits.

Physical review. E, Statistical, nonlinear, and soft matter physics

Durand M, Kraynik AM, van Swol F, Käfer J, Quilliet C, Cox S, Ataei Talebi S, Graner F.
PMID: 25019778
Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Jun;89(6):062309. doi: 10.1103/PhysRevE.89.062309. Epub 2014 Jun 19.

Bubble monolayers are model systems for experiments and simulations of two-dimensional packing problems of deformable objects. We explore the relation between the distributions of the number of bubble sides (topology) and the bubble areas (geometry) in the low liquid...

[Formulation Optimization of Zuojin Floating-Bioadhesive Pellets by Central Composite Design-Response Surface Methodology].

Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials

Xu F, Wang LL, Shi ZQ, Chen F, Sun DM.
PMID: 26930991
Zhong Yao Cai. 2015 Sep;38(9):1969-73.

OBJECTIVE: To optimize the formulation of Zuojin floating-bioadhesive pellets by the central composite design-response surface methodology (CCD-RSM).METHODS: In the formulation design using CCD-RSM, independent variables were the amounts of sodium bicarbonate (X1), HPMC (X2) and MCC (X3) as factors....

An Additive Definition of Molecular Complexity.

Journal of chemical information and modeling

Böttcher T.
PMID: 26857537
J Chem Inf Model. 2016 Mar 28;56(3):462-70. doi: 10.1021/acs.jcim.5b00723. Epub 2016 Feb 22.

A framework for molecular complexity is established that is based on information theory and consistent with chemical knowledge. The resulting complexity index Cm is derived from abstracting the information content of a molecule by the degrees of freedom in...

Chemical geneticists unify their data.

Drug discovery today

Mandavilli A.
PMID: 12547009
Drug Discov Today. 2002 Dec 01;7(23):1148-9. doi: 10.1016/s1359-6446(02)02523-0.

No abstract available.

Multi-component reactions and evolutionary chemistry.

Drug discovery today

Weber L.
PMID: 11790626
Drug Discov Today. 2002 Jan 15;7(2):143-7. doi: 10.1016/s1359-6446(01)02090-6.

Multi-component reactions (MCRs) provide a new approach towards the efficient synthesis of diverse compounds and compound libraries. MCRs are evolving from being purely a chemistry curiosity to being recognized as having increasing relevance for drug discovery in terms of...

Showing 1 to 12 of 125 entries