If you made any changes in Pure, your changes will be visible here soon.

Fingerprint Weighted list of dominant concepts in the researcher's publications (titles and abstracts).

Free energy Chemical Compounds
Permeation Chemical Compounds
membranes Physics & Astronomy
Ions Chemical Compounds
free energy Physics & Astronomy
Water Chemical Compounds
Bins Chemical Compounds
ions Physics & Astronomy

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Research Output 2007 2019

An experimentally validated approach to calculate the blood-brain barrier permeability of small molecules

Wang, Y., Gallagher, E., Jorgensen, C., Troendle, E. P., Hu, D., Searson, P. C. & Ulmschneider, M. B., Dec 1 2019, In : Scientific reports. 9, 1, 6117.

Research output: Contribution to journalArticle

Open Access
Blood-Brain Barrier
Computer Simulation
Pharmaceutical Preparations

An optimization principle for initiation and adaptation of biological transport networks

Hu, D. & Cai, D., Jan 1 2019, In : Communications in Mathematical Sciences. 17, 5, p. 1427-1436 10 p.

Research output: Contribution to journalArticle

Structural optimization
Structural Optimization
Dynamic Adaptation
Blood vessels

Finite-Temperature Dimer Method for Finding Saddle Points on Free Energy Surfaces

Zhang, H., Qiu, L. & Hu, D., Jan 1 2019, In : Journal of Computational Chemistry.

Research output: Contribution to journalArticle

Finite Temperature
Free energy
Free energy
free energy

Free Energy Calculations on the Water-Chain-Assisted and the Dehydration Mechanisms of Transmembrane Ion Permeation

Guan, X., Wei, D. Q. & Hu, D., Jan 1 2019, (Accepted/In press) In : Journal of chemical theory and computation.

Research output: Contribution to journalArticle

Free energy
free energy