Jacob D. Durrant
University of Pittsburgh(US)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Protein Structure and Dynamics, RNA and protein synthesis mechanisms, Machine Learning in Materials Science, Chemical Synthesis and Analysis
Most-Cited Works
- → Molecular dynamics simulations and drug discovery(2011)1,355 cited
- → NNScore 2.0: A Neural-Network Receptor–Ligand Scoring Function(2011)396 cited
- → NNScore: A Neural-Network-Based Scoring Function for the Characterization of Protein−Ligand Complexes(2010)264 cited
- → POVME 2.0: An Enhanced Tool for Determining Pocket Shape and Volume Characteristics(2014)237 cited
- → Emerging Computational Methods for the Rational Discovery of Allosteric Drugs(2016)234 cited
- → BINANA: A novel algorithm for ligand-binding characterization(2011)231 cited
- → POVME: An algorithm for measuring binding-pocket volumes(2010)203 cited
- → Weighted Implementation of Suboptimal Paths (WISP): An Optimized Algorithm and Tool for Dynamical Network Analysis(2014)192 cited
- → AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization(2020)177 cited
- → Computational approaches to mapping allosteric pathways(2014)139 cited