Predictions of the physicochemical properties of amino acid side chain analogs using molecular simulation
2016 ◽
Vol 18
(9)
◽
pp. 6559-6568
◽
Keyword(s):
A candidate drug compound is released for clinical trails (in vivo activity) only if its physicochemical properties meet desirable bioavailability and partitioning criteria.
2006 ◽
Vol 27
(13)
◽
pp. 1534-1547
◽
Keyword(s):
Solvation free energies of amino acid side chain analogs for common molecular mechanics water models
2005 ◽
Vol 122
(13)
◽
pp. 134508
◽
Keyword(s):
2007 ◽
Vol 14
(4)
◽
pp. 379-386
◽
1985 ◽
Vol 47
(1)
◽
pp. 61-70
◽
1990 ◽
Vol 86
(18)
◽
pp. 3117-3123
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Keyword(s):
1991 ◽
Vol 88
(2)
◽
pp. 492-496
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Keyword(s):