Author of the publication

Binding pose and affinity prediction in the 2016 D3R Grand Challenge 2 using the Wilma-SIE method.

, , , , and . J. Comput. Aided Mol. Des., 32 (1): 143-150 (2018)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Toward a computational tool predicting the stereochemical outcome of asymmetric reactions: Development of the molecular mechanics-based program ACE and application to asymmetric epoxidation reactions., , , and . J. Comput. Chem., 32 (13): 2878-2889 (2011)Binding pose and affinity prediction in the 2016 D3R Grand Challenge 2 using the Wilma-SIE method., , , , and . J. Comput. Aided Mol. Des., 32 (1): 143-150 (2018)Rapid prediction of solvation free energy. 3. Application to the SAMPL2 challenge., , and . J. Comput. Aided Mol. Des., 24 (4): 373-383 (2010)Assessment of Solvated Interaction Energy Function for Ranking Antibody-Antigen Binding Affinities., , , , and . Journal of Chemical Information and Modeling, 56 (7): 1292-1303 (2016)Integrating Medicinal Chemistry, Organic/Combinatorial Chemistry, and Computational Chemistry for the Discovery of Selective Estrogen Receptor Modulators with Forecaster, a Novel Platform for Drug Discovery., , , , , , , and . Journal of Chemical Information and Modeling, 52 (1): 210-224 (2012)Docking Ligands into Flexible and Solvated Macromolecules. 3. Impact of Input Ligand Conformation, Protein Flexibility, and Water Molecules on the Accuracy of Docking Programs., and . Journal of Chemical Information and Modeling, 49 (4): 997-1009 (2009)Integrating Medicinal Chemistry, Organic/Combinatorial Chemistry, and Computational Chemistry for the Discovery of Selective Estrogen Receptor Modulators with Forecaster, a Novel Platform for Drug Discovery, , , , , , , and . J. Chem. Inf. Model., (Dec 1, 2011)Docking Ligands into Flexible and Solvated Macromolecules, 7. Impact of Protein Flexibility and Water Molecules on Docking-Based Virtual Screening Accuracy., , , , , and . Journal of Chemical Information and Modeling, 54 (11): 3198-3210 (2014)Docking Ligands into Flexible and Solvated Macromolecules. 2. Development and Application of Fitted 1.5 to the Virtual Screening of Potential HCV Polymerase Inhibitors., , , , , , , and . Journal of Chemical Information and Modeling, 48 (4): 902-909 (2008)Docking Ligands into Flexible and Solvated Macromolecules, 1. Development and Validation of FITTED 1.0., , and . Journal of Chemical Information and Modeling, 47 (2): 435-449 (2007)