검색결과 : 4건
| No. | Article |
|---|---|
| 1 |
Stochastic Voyages into Uncharted Chemical Space Produce a Representative Library of All Possible Drug-Like Compounds Virshup AM, Contreras-Garcia J, Wipf P, Yang WT, Beratan DN Journal of the American Chemical Society, 135(19), 7296, 2013 |
| 2 |
Photodynamics in Complex Environments: Ab Initio Multiple Spawning Quantum Mechanical/Molecular Mechanical Dynamics Virshup AM, Punwong C, Pogorelov TV, Lindquist BA, Ko C, Martinez TJ Journal of Physical Chemistry B, 113(11), 3280, 2009 |
| 3 |
First Principles Dynamics and Minimum Energy Pathways for Mechanochemical Ring Opening of Cyclobutene Ong MT, Leiding J, Tao HL, Virshup AM, Martinez TJ Journal of the American Chemical Society, 131(18), 6377, 2009 |
| 4 |
Electrostatic control of photoisomerization in the photoactive yellow protein chromophore: Ab initio multiple spawning dynamics Ko C, Virshup AM, Martinez TJ Chemical Physics Letters, 460(1-3), 272, 2008 |