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Discrete & Computational Geometry|November 29, 2024
On Angles in Higher Order Brillouin Tessellations and Related Tilings in the PlaneHerbert Edelsbrunner, Alexey Garber, Mohadese Ghafari, et al.Proteins|December 13, 2005
Evaluating the quality of NMR structures by local density of protonsYih-En Andrew Ban, Johannes Rudolph, Pei Zhou, et al.Plos One|June 16, 2012
Hierarchical ordering of reticular networksYuriy Mileyko, Herbert Edelsbrunner, Charles A Price, et al.Journal of Applied and Computational Topology|September 23, 2024
Depth in arrangements: Dehn-Sommerville-Euler relations with applicationsRanita Biswas, Sebastiano Cultrera di Montesano, Herbert Edelsbrunner, et al.Proteins|May 15, 2012
Scoring protein interaction decoys using exposed residues (SPIDER): a novel multibody interaction scoring function based on frequent geometric patterns of interfacial residuesRaed Khashan, Weifan Zheng, Alexander TropshaCombinatorial Chemistry & High Throughput Screening|February 1, 2011
Exploring quantitative nanostructure-activity relationships (QNAR) modeling as a tool for predicting biological effects of manufactured nanoparticlesDenis Fourches, Dongqiuye Pu, Alexander TropshaToxicology and Applied Pharmacology|July 25, 2014
Prediction of binding affinity and efficacy of thyroid hormone receptor ligands using QSAR and structure-based modeling methodsRegina Politi, Ivan Rusyn, Alexander TropshaJournal of Chemical Information and Computer Sciences|July 23, 2002
Novel ZE-isomerism descriptors derived from molecular topology and their application to QSAR analysisAlexander Golbraikh, Danail Bonchev, Alexander TropshaJournal of Chemical Information and Modeling|December 19, 2014
Target-specific native/decoy pose classifier improves the accuracy of ligand ranking in the CSAR 2013 benchmarkDenis Fourches, Regina Politi, Alexander TropshaScience Advances|July 28, 2018
Deep reinforcement learning for de novo drug designMariya Popova, Olexandr Isayev, Alexander TropshaPageof 26