Predicting Small-Molecule Solvation Free Energies: An Informal Blind Test for Computational Chemistry 论文

2008Journal of Medicinal Chemistry引用 294
DOI
Spectroscopy and Quantum Chemical StudiesAdvanced Thermodynamics and Statistical MechanicsComputational Drug Discovery Methods
量子计算Computational Drug Discovery MethodsAdvanced Thermodynamics and Statistical MechanicsSpectroscopy and Quantum Chemical Studies
相关技术:Computational Drug Discovery Methods
关系图谱

Predicting Small-Molecule Solvation Free Energies: An Informal Blind Test for Computational Chemistry · 作者

V

Vijay S. Pande

M

Matthew D. Cooper

C

Christopher I. Bayly

J

John D. Chodera

J

J. Peter Guthrie

D

David L. Mobley

A

Anthony Nicholls