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Journal of Chemical Theory and Computation, ISSN 1549-9618, 10/2010, Volume 6, Issue 10, pp. 3079 - 3091
Computational methods for predicting protein−ligand binding free energy continue to be popular as a potential cost-cutting method in the drug discovery... 
Quantum Electronic Structure | RECOGNITION | STABILIZATION | QM/MM METHODS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | AUTOMATED DOCKING | VALIDATION | CHEMISTRY, PHYSICAL | FREE-ENERGIES | POLARIZATION | DIVERSE SET | MOLECULAR-ORBITAL CALCULATIONS | ENTROPY
Journal Article
Molecular Cancer Research, ISSN 1541-7786, 03/2013, Volume 11, Issue 3, pp. 219 - 229
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 07/2006, Volume 2, Issue 4, pp. 1057 - 1069
Journal Article
Cancer Research, ISSN 0008-5472, 04/2011, Volume 71, Issue 8 Supplement, pp. 3771 - 3771
Journal Article
Cancer Research, ISSN 0008-5472, 04/2012, Volume 72, Issue 8 Supplement, pp. 3793 - 3793
Journal Article
Cancer Research, ISSN 0008-5472, 04/2013, Volume 73, Issue 8 Supplement, pp. 1683 - 1683
Journal Article
Journal of chemical theory and computation, ISSN 1549-9618, 09/2010, Volume 6, Issue 10, pp. 3079 - 3091
Computational methods for predicting protein-ligand binding free energy continue to be popular as a potential cost-cutting method in the drug discovery... 
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 08/2008, Volume 4, Issue 8, pp. 1200 - 1207
A method of solving the mixed quantum mechanical/molecular mechanical (QM/MM) Hamiltonian in solution, using the Poisson−Boltzmann (PB) equation to calculate... 
Quantum Electronic Structure | QUANTUM MECHANICS/MOLECULAR MECHANICS | SOLVATION MODELS | DYNAMICS | CHEMISTRY | PROTEIN-LIGAND INTERACTIONS | ELECTROSTATICS | BINDING FREE-ENERGIES | EQUATION | CHEMISTRY, MULTIDISCIPLINARY | SOLVENT | MOLECULAR-ORBITAL CALCULATIONS
Journal Article
01/2009, ISBN 1124133526
Computational methods have been successfully used to speed the drug discovery process and to provide a more robust search of chemical space for new drug... 
Physical chemistry
Dissertation
QSAR & Combinatorial Science, ISSN 1611-020X, 09/2005, Volume 24, Issue 7, pp. 831 - 843
Journal Article
Journal of Molecular Structure: THEOCHEM, ISSN 0166-1280, 2003, Volume 638, Issue 1, pp. 107 - 117
Boronic acids are well known to form covalent linkages with compounds containing 1,2- or 1,3-diol moieties to form cyclic boronic esters. This unique ability... 
Proton transfer reaction | Density functional theory | Boronic acids | Monohydroxy borane
Journal Article
Journal of Molecular Structure: THEOCHEM, ISSN 0166-1280, 2004, Volume 673, Issue 1, pp. 145 - 154
Journal Article
Soil and Sediment Contamination, ISSN 1058-8337, 2002, Volume 11, Issue 6, pp. 903 - 904
Journal Article
01/2011, ISBN 9781267200334
Living radical polymerization techniques are powerful tools for prepared specialty polymer products used in applications from biotechnology to electronics.... 
Inorganic chemistry
Dissertation
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