TY  - GEN
AU  - Liu,Zhaomin
AU  - Pottel,Joshua
AU  - Shahamat,Moeed
AU  - Tomberg,Anna
AU  - Labute,Paul
AU  - Moitessier,Nicolas
TI  - Elucidating Hyperconjugation from Electronegativity to Predict Drug Conformational Energy in a High Throughput Manner
SN  - 1549-960X
PY  - 2017///0731
KW  - Drug Design
KW  - Electrons
KW  - Molecular Conformation
KW  - Molecular Dynamics Simulation
KW  - Pharmaceutical Preparations
KW  - chemistry
KW  - Thermodynamics
N1  - Publication Type: Journal Article; Research Support, Non-U.S. Gov't
UR  - https://doi.org/10.1021/acs.jcim.6b00012
ER  -