000 01471 a2200397 4500
005 20250513202018.0
264 0 _c20000224
008 200002s 0 0 eng d
022 _a0887-3585
024 7 _a10.1002/(sici)1097-0134(19991201)37:4<641::aid-prot14>3.0.co;2-w
_2doi
040 _aNLM
_beng
_cNLM
100 1 _aOta, N
245 0 0 _aNon-Boltzmann thermodynamic integration (NBTI) for macromolecular systems: relative free energy of binding of trypsin to benzamidine and benzylamine.
_h[electronic resource]
260 _bProteins
_cDec 1999
300 _a641-53 p.
_bdigital
500 _aPublication Type: Comparative Study; Journal Article; Research Support, U.S. Gov't, P.H.S.
650 0 4 _aBenzamidines
_xchemistry
650 0 4 _aBenzylamines
_xchemistry
650 0 4 _aCrystallography, X-Ray
650 0 4 _aKinetics
650 0 4 _aMacromolecular Substances
650 0 4 _aModels, Molecular
650 0 4 _aProtein Binding
650 0 4 _aProtein Conformation
650 0 4 _aStatic Electricity
650 0 4 _aThermodynamics
650 0 4 _aTrypsin
_xchemistry
650 0 4 _aTrypsin Inhibitors
_xchemistry
700 1 _aStroupe, C
700 1 _aFerreira-da-Silva, J M
700 1 _aShah, S A
700 1 _aMares-Guia, M
700 1 _aBrunger, A T
773 0 _tProteins
_gvol. 37
_gno. 4
_gp. 641-53
856 4 0 _uhttps://doi.org/10.1002/(sici)1097-0134(19991201)37:4<641::aid-prot14>3.0.co;2-w
_zAvailable from publisher's website
999 _c10606314
_d10606314