Haibo Yu

Haibo Yu

University of Wollongong - Wollongong / Australia
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 3519
person_outline Haibo Yu's MOST POPULAR ARTICLES
1-) Biomolecular modeling: goals, problems, perspectivesWF van Gunsteren, D Bakowies, R Baron, I Chandrasekhar, M Christen, ...Angewandte Chemie International Edition 45 (25), 4064-4092, 20066852006
2-) Simulating monovalent and divalent ions in aqueous solution using a Drude polarizable force fieldH Yu, TW Whitfield, E Harder, G Lamoureux, I Vorobyov, VM Anisimov, ...Journal of chemical theory and computation 6 (3), 774-786, 20104322010
3-) Development of effective quantum mechanical/molecular mechanical (QM/MM) methods for complex biological processesD Riccardi, P Schaefer, Y Yang, H Yu, N Ghosh, X Prat-Resina, P König, ...The Journal of Physical Chemistry B 110 (13), 6458-6469, 20063282006
4-) Extension of the self-consistent-charge density-functional tight-binding method: third-order expansion of the density functional theory total energy and introduction of a …Y Yang, H Yu, D York, Q Cui, M ElstnerThe Journal of Physical Chemistry A 111 (42), 10861-10873, 20073252007
5-) Accounting for polarization in molecular simulationH Yu, WF van GunsterenComputer Physics Communications 172 (2), 69-85, 20052882005