TY  - GEN
AU  - Spiwok,Vojtěch
AU  - Hlat-Glembová,Katarína
AU  - Tvaroška,Igor
AU  - Králová,Blanka
TI  - Conformational free energy modeling of druglike molecules by metadynamics in the WHIM space
SN  - 1549-960X
PY  - 2012///0711
KW  - Catalytic Domain
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/ci200623n
ER  -