MOLECULAR STRUCTURE, ELECTRONIC, TOPOLOGY AND NON-COVALENT INTERACTION OF 4-(BIS(2-CHLOROETHYL)AMINO)-L-PHENYLALANINE- ANTI-BLOOD CANCER ACTIVITY

Molecular structure, electronic, topology and non-covalent interaction of 4-(Bis(2-chloroethyl)amino)-L-phenylalanine- Anti-blood cancer activity

In this study, it is attempted to scrutinize the global minimum energy structure of anti-blood cancer drug 4-(Bis(2-chloroethyl)amino)-L-phenylalanine (4B2CA-LPA) and functionalized density functional theory (DFT) calculations regarding their geometries, topological features of covalent, non-covalent interactions with employing Atoms Juices in mole

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