A. Geoffrey Skillman
Publications by Year
Research Areas
Computational Drug Discovery Methods, Protein Structure and Dynamics, Machine Learning in Materials Science, Chemical Synthesis and Analysis, Biochemical and Molecular Research
Most-Cited Works
- → Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database(2010)1,640 cited
- → DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases(2001)1,176 cited
- → Comparison of Shape-Matching and Docking as Virtual Screening Tools(2006)1,004 cited
- → The SAMPL2 blind prediction challenge: introduction and overview(2010)211 cited
- → Potent, Low-Molecular-Weight Non-Peptide Inhibitors of Malarial Aspartyl Protease Plasmepsin II(1999)169 cited
- → How to do an evaluation: pitfalls and traps(2008)159 cited
- → CombiDOCK: Structure-based combinatorial docking and library design(1998)85 cited
- → Automated ligand placement and refinement with a combined force field and shape potential(2006)82 cited
- → Novel Cathepsin D Inhibitors Block the Formation of Hyperphosphorylated Tau Fragments in Hippocampus(2000)69 cited
- → SAMPL3: blinded prediction of host–guest binding affinities, hydration free energies, and trypsin inhibitors(2012)59 cited