Models that simulate this molecule include a TIP3P model that forces rigid geometry. For 10 points each:
[10e] Name this solvent with bent geometry that contains a lone pair on a central oxygen atom. The density of this molecule decreases when it freezes into ice.
ANSWER: water [or H2O; accept dihydrogen monoxide or DHMO]
[10m] The motions of water are critical in this computational simulation field that investigates the movements of atoms over time. Potential force fields are often used in this field, including the electrostatics of proteins.
ANSWER: molecular dynamics [or MD]
[10h] In addition to MD physical modeling and molecular docking, pharmaceutical research also uses this regression modeling technique based on molecular structure. Simple examples of this technique can predict pKa constants.
ANSWER: QSAR [or quantitative structure-activity relationship]
<Manchester A, Chemistry>