Potential drug-like inhibitors of Group 1 influenza neuraminidase identified through computer-aided drug design. - Jacob D. Durrant; James Andrew McCammon (Comput. Biol. Chem., 2010)

NNScore: A Neural-Network-Based Scoring Function for the Characterization of Protein-Ligand Complexes. - Jacob D. Durrant; James Andrew McCammon (J. Chem. Inf. Model., 2010)

A Multidimensional Strategy to Detect Polypharmacological Targets in the Absence of Structural and Sequence Homology. - Jacob D. Durrant; Rommie E. Amaro; Lei Xie 006; Michael D. Urbaniak; Michael A. J. Ferguson; Antti Haapalainen; Zhijun Chen; Anne Marie Di Guilmi; Frank Wunder; Philip E. Bourne; James Andrew McCammon (PLoS Comput. Biol., 2010)

CrystalDock: A Novel Approach to Fragment-Based Drug Design. - Jacob D. Durrant; Aaron J. Friedman; James Andrew McCammon (J. Chem. Inf. Model., 2011)

NNScore 2.0: A Neural-Network Receptor-Ligand Scoring Function. - Jacob D. Durrant; James Andrew McCammon (J. Chem. Inf. Model., 2011)

AutoClickChem: Click Chemistry in Silico. - Jacob D. Durrant; James Andrew McCammon (PLoS Comput. Biol., 2012)

Comparing Neural-Network Scoring Functions and the State of the Art: Applications to Common Library Screening. - Jacob D. Durrant; Aaron J. Friedman; Kathleen Roger; James Andrew McCammon (J. Chem. Inf. Model., 2013)

WebChem Viewer: a tool for the easy dissemination of chemical and structural data sets. - Jacob D. Durrant; Rommie E. Amaro (BMC Bioinform., 2014)

LipidWrapper: An Algorithm for Generating Large-Scale Membrane Models of Arbitrary Geometry. - Jacob D. Durrant; Rommie E. Amaro (PLoS Comput. Biol., 2014)

Neural-Network Scoring Functions Identify Structurally Novel Estrogen-Receptor Ligands. - Jacob D. Durrant; Kathryn E. Carlson; Teresa A. Martin; Tavina L. Offutt; Christopher G. Mayne; John A. Katzenellenbogen; Rommie E. Amaro (J. Chem. Inf. Model., 2015)

A Virtual Screening Approach For Identifying Plants with Anti H5N1 Neuraminidase Activity. - Nur Kusaira Khairul Ikram; Jacob D. Durrant; Muchtaridi Muchtaridi; Ayunni Salihah Zalaludin; Neny Purwitasari; Nornisah Mohamed; Aisyah Saad Abdul Rahim; Chan Kit Lam; Yahaya M. Normi; Noorsaadah Abdul Rahman; Rommie E. Amaro; Habibah A. Wahab (J. Chem. Inf. Model., 2015)

Scoria: a Python module for manipulating 3D molecular data. - Patrick J. Ropp; Aaron J. Friedman; Jacob D. Durrant (J. Cheminformatics, 2017)

Pyrite: A blender plugin for visualizing molecular dynamics simulations using industry-standard rendering techniques. - Nivedita Rajendiran; Jacob D. Durrant (J. Comput. Chem., 2018)

Two inhibitors of yeast plasma membrane ATPase 1 (ScPma1p): toward the development of novel antifungal therapies. - Sabine Ottilie; Gregory M. Goldgof; Andrea L. Cheung; Jennifer L. Walker; Edgar Vigil; Kenneth E. Allen; Yevgeniya Antonova-Koch; Carolyn W. Slayman; Yo Suzuki; Jacob D. Durrant (J. Cheminformatics, 2018)

BlendMol: advanced macromolecular visualization in Blender. - Jacob D. Durrant (Bioinform., 2019)

Dimorphite-DL: an open-source program for enumerating the ionization states of drug-like small molecules. - Patrick J. Ropp; Jesse C. Kaminsky; Sara Yablonski; Jacob D. Durrant (J. Cheminformatics, 2019)

Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening. - Patrick J. Ropp; Jacob O. Spiegel; Jennifer L. Walker; Harrison Green; Guillermo A. Morales; Katherine A. Milliken; John J. Ringe; Jacob D. Durrant (J. Cheminformatics, 2019)

PCAViz: An Open-Source Python/JavaScript Toolkit for Visualizing Molecular Dynamics Simulations in the Web Browser. - Sayuri Pacheco; Jesse C. Kaminsky; Iurii K. Kochnev; Jacob D. Durrant (J. Chem. Inf. Model., 2019)

Webina: an open-source library and web app that runs AutoDock Vina entirely in the web browser. - Yuri Kochnev; Erich Hellemann; Kevin C. Cassidy; Jacob D. Durrant; Yann Ponty (Bioinform., 2020)

LigGrep: a tool for filtering docked poses to improve virtual-screening hit rates. - Emily J. Ha; Cara T. Lwin; Jacob D. Durrant (J. Cheminformatics, 2020)

AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization. - Jacob O. Spiegel; Jacob D. Durrant (J. Cheminformatics, 2020)

ProteinVR: Web-based molecular visualization in virtual reality. - Kevin C. Cassidy; Jan Sefcik; Yogindra Raghav; Alexander Chang; Jacob D. Durrant (PLoS Comput. Biol., 2020)

DeepFrag: An Open-Source Browser App for Deep-Learning Lead Optimization. - Harrison Green; Jacob D. Durrant (J. Chem. Inf. Model., 2021)

Prot2Prot: a deep learning model for rapid, photorealistic macromolecular visualization. - Jacob D. Durrant (J. Comput. Aided Mol. Des., 2022)

FPocketWeb: protein pocket hunting in a web browser. - Yuri Kochnev; Jacob D. Durrant (J. Cheminformatics, 2022)

BINANA 2: Characterizing Receptor/Ligand Interactions in Python and JavaScript. - Jade Young; Neerja Garikipati; Jacob D. Durrant (J. Chem. Inf. Model., 2022)

Novel mutation in hexokinase 2 confers resistance to 2-deoxyglucose by altering protein dynamics. - Erich Hellemann; Jennifer L. Walker; Mitchell A. Lesko; Dakshayini G. Chandrashekarappa; Martin C. Schmidt; Allyson F. O'Donnell; Jacob D. Durrant (PLoS Comput. Biol., 2022)

CENsible: Interpretable Insights into Small-Molecule Binding with Context Explanation Networks. - Roshni Bhatt; David Ryan Koes; Jacob D. Durrant (J. Chem. Inf. Model., 2024)