Results 101 to 110 of about 39,883 (162)

Improving Conformational Ensembles of Folded Proteins in Go̅Martini. [PDF]

open access: yesJ Chem Theory Comput
Kalutskii M   +3 more
europepmc   +1 more source

Quantum Chemistry-Driven Molecular Inverse Design of Stable Isomers with Data-Free Reinforcement Learning. [PDF]

open access: yesJ Chem Theory Comput
Calcagno F   +5 more
europepmc   +1 more source

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