Zobrazeno 1 - 10
of 95
pro vyhledávání: '"I T, Christensen"'
Predicting drug absorption from molecular surface properties based on molecular dynamics simulations
Publikováno v:
Pharmaceutical research. 15(7)
To develop an efficient method for generating representative conformations for calculation of the conformationally dependent molecular surface area, and to investigate the relation between this parameter and the permeability in Caco-2 cells.High temp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::03c22dd8adf70e92d4d74f66d756484d
https://pubmed.ncbi.nlm.nih.gov/9688046
https://pubmed.ncbi.nlm.nih.gov/9688046
Autor:
I T, Christensen, F S, Jørgensen
Publikováno v:
Journal of computer-aided molecular design. 11(4)
A molecular dynamics (MD)-based conformational analysis has been performed on a number of cycloalkanes in order to demonstrate the reliability and generality of MD as a tool for conformational analysis. MD simulations on cyclohexane and a series of m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::e8bf3e71d1d61b5371d592b2eb1b8dbd
https://pubmed.ncbi.nlm.nih.gov/9334904
https://pubmed.ncbi.nlm.nih.gov/9334904
Autor:
Chen, Chengzhi1 (AUTHOR), Yuan, Tingting1 (AUTHOR), Lan, Ping1 (AUTHOR), White, Lorenzo V.1 (AUTHOR), Chen, Jing1 (AUTHOR), Banwell, Martin G.1,2 (AUTHOR) mgbanwell@jnu.edu.cn
Publikováno v:
European Journal of Organic Chemistry. 4/20/2023, Vol. 26 Issue 16, p1-15. 15p.
Autor:
Clapson, Marissa L.1 (AUTHOR), Sharma, Harvey1 (AUTHOR), Zurakowski, Joseph A.1 (AUTHOR), Drover, Marcus W.1 (AUTHOR) marcus.drover@uwindsor.ca
Publikováno v:
Chemistry - A European Journal. 3/22/2023, Vol. 29 Issue 17, p1-7. 7p.
Autor:
Mendoza‐Wilson, Ana M.1 (AUTHOR) mwilson@ciad.mx, Balandrán‐Quintana, René R.1 (AUTHOR)
Publikováno v:
International Journal of Quantum Chemistry. Oct2020, Vol. 120 Issue 19, p1-21. 21p.
Publikováno v:
Physical Chemistry Chemical Physics (PCCP); 5/7/2023, Vol. 25 Issue 17, p12290-12307, 18p
Autor:
Wiesler, Stefan1 (AUTHOR), Bau, Michael A.1 (AUTHOR), Niepel, Thomas1 (AUTHOR), Younas, Sara L.1 (AUTHOR), Luu, Hieu‐Trinh1 (AUTHOR), Streuff, Jan1 (AUTHOR) jan.streuff@ocbc.uni‐freiburg.de
Publikováno v:
European Journal of Organic Chemistry. 9/30/2019, Vol. 2019 Issue 36, p6246-6260. 15p.
Autor:
Breznik, Marko, Ge, Yunhui, Bluck, Joseph P., Briem, Hans, Hahn, David F., Christ, Clara D., Mortier, Jérémie, Mobley, David L., Meier, Katharina
Publikováno v:
ChemMedChem; 1/3/2023, Vol. 18 Issue 1, p1-13, 13p
Autor:
Lückmann, Michael1,2, Amarandi, Roxana ‐ Maria1,3, Papargyri, Natalia1,4, Jakobsen, Mette H.1, Christiansen, Elisabeth5, Jensen, Lars J.6, Pui, Aurel3, Schwartz, Thue W.1,2, Rosenkilde, Mette M.1, Frimurer, Thomas M.2,6 thomas.frimurer@cpr.ku.dk
Publikováno v:
Chemical Biology & Drug Design. Mar2017, Vol. 89 Issue 3, p289-296. 8p.