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ORCIDJacob D. Durrant
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2020 – today
- 2024
[j28]Roshni Bhatt, David Ryan Koes
, Jacob D. Durrant:
CENsible: Interpretable Insights into Small-Molecule Binding with Context Explanation Networks. J. Chem. Inf. Model. 64(12): 4651-4660 (2024)- 2022
- [j27]Jacob D. Durrant:
Prot2Prot: a deep learning model for rapid, photorealistic macromolecular visualization. J. Comput. Aided Mol. Des. 36(9): 677-686 (2022) - [j26]Yuri Kochnev, Jacob D. Durrant:
FPocketWeb: protein pocket hunting in a web browser. J. Cheminformatics 14(1): 58 (2022) - [j25]Jade Young, Neerja Garikipati, Jacob D. Durrant:
BINANA 2: Characterizing Receptor/Ligand Interactions in Python and JavaScript. J. Chem. Inf. Model. 62(4): 753-760 (2022) - [j24]Erich Hellemann, Jennifer L. Walker, Mitchell A. Lesko, Dakshayini G. Chandrashekarappa, Martin C. Schmidt, Allyson F. O'Donnell, Jacob D. Durrant:
Novel mutation in hexokinase 2 confers resistance to 2-deoxyglucose by altering protein dynamics. PLoS Comput. Biol. 18(3) (2022) - 2021
- [j23]Harrison Green, Jacob D. Durrant:
DeepFrag: An Open-Source Browser App for Deep-Learning Lead Optimization. J. Chem. Inf. Model. 61(6): 2523-2529 (2021) - 2020
- [j22]Yuri Kochnev, Erich Hellemann, Kevin C. Cassidy, Jacob D. Durrant, Yann Ponty:
Webina: an open-source library and web app that runs AutoDock Vina entirely in the web browser. Bioinform. 36(16): 4513-4515 (2020) - [j21]Jacob O. Spiegel, Jacob D. Durrant:
AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization. J. Cheminformatics 12(1): 25 (2020) - [j20]Emily J. Ha, Cara T. Lwin, Jacob D. Durrant:
LigGrep: a tool for filtering docked poses to improve virtual-screening hit rates. J. Cheminformatics 12(1): 69 (2020) - [j19]Kevin C. Cassidy, Jan Sefcik, Yogindra Raghav, Alexander Chang, Jacob D. Durrant:
ProteinVR: Web-based molecular visualization in virtual reality. PLoS Comput. Biol. 16(3) (2020)
2010 – 2019
- 2019
- [j18]Jacob D. Durrant:
BlendMol: advanced macromolecular visualization in Blender. Bioinform. 35(13): 2323-2325 (2019) - [j17]Patrick J. Ropp, Jesse C. Kaminsky, Sara Yablonski, Jacob D. Durrant:
Dimorphite-DL: an open-source program for enumerating the ionization states of drug-like small molecules. J. Cheminformatics 11(1): 14:1-14:8 (2019) - [j16]Patrick J. Ropp, Jacob O. Spiegel, Jennifer L. Walker, Harrison Green, Guillermo A. Morales, Katherine A. Milliken, John J. Ringe, Jacob D. Durrant:
Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening. J. Cheminformatics 11(1): 34:1-34:13 (2019) - [j15]Sayuri Pacheco, Jesse C. Kaminsky, Iurii K. Kochnev, Jacob D. Durrant:
PCAViz: An Open-Source Python/JavaScript Toolkit for Visualizing Molecular Dynamics Simulations in the Web Browser. J. Chem. Inf. Model. 59(10): 4087-4092 (2019) - 2018
- [j14]Nivedita Rajendiran, Jacob D. Durrant:
Pyrite: A blender plugin for visualizing molecular dynamics simulations using industry-standard rendering techniques. J. Comput. Chem. 39(12): 748-755 (2018) - [j13]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:
Two inhibitors of yeast plasma membrane ATPase 1 (ScPma1p): toward the development of novel antifungal therapies. J. Cheminformatics 10(1): 6:1-6:9 (2018) - 2017
- [j12]Patrick J. Ropp, Aaron J. Friedman, Jacob D. Durrant:
Scoria: a Python module for manipulating 3D molecular data. J. Cheminformatics 9(1): 52 (2017) - 2015
- [j11]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:
A Virtual Screening Approach For Identifying Plants with Anti H5N1 Neuraminidase Activity. J. Chem. Inf. Model. 55(2): 308-316 (2015) - [j10]Jacob D. Durrant, Kathryn E. Carlson, Teresa A. Martin, Tavina L. Offutt, Christopher G. Mayne, John A. Katzenellenbogen, Rommie E. Amaro:
Neural-Network Scoring Functions Identify Structurally Novel Estrogen-Receptor Ligands. J. Chem. Inf. Model. 55(9): 1953-1961 (2015) - 2014
- [j9]Jacob D. Durrant, Rommie E. Amaro:
WebChem Viewer: a tool for the easy dissemination of chemical and structural data sets. BMC Bioinform. 15: 159 (2014) - [j8]Jacob D. Durrant, Rommie E. Amaro:
LipidWrapper: An Algorithm for Generating Large-Scale Membrane Models of Arbitrary Geometry. PLoS Comput. Biol. 10(7) (2014) - 2013
- [j7]Jacob D. Durrant, Aaron J. Friedman, Kathleen Roger, James Andrew McCammon:
Comparing Neural-Network Scoring Functions and the State of the Art: Applications to Common Library Screening. J. Chem. Inf. Model. 53(7): 1726-1735 (2013) - 2012
- [j6]Jacob D. Durrant, James Andrew McCammon:
AutoClickChem: Click Chemistry in Silico. PLoS Comput. Biol. 8(3) (2012) - 2011
- [j5]Jacob D. Durrant, Aaron J. Friedman, James Andrew McCammon:
CrystalDock: A Novel Approach to Fragment-Based Drug Design. J. Chem. Inf. Model. 51(10): 2573-2580 (2011) - [j4]Jacob D. Durrant, James Andrew McCammon:
NNScore 2.0: A Neural-Network Receptor-Ligand Scoring Function. J. Chem. Inf. Model. 51(11): 2897-2903 (2011) - 2010
- [j3]Jacob D. Durrant, James Andrew McCammon:
Potential drug-like inhibitors of Group 1 influenza neuraminidase identified through computer-aided drug design. Comput. Biol. Chem. 34(2): 97-105 (2010) - [j2]Jacob D. Durrant, James Andrew McCammon:
NNScore: A Neural-Network-Based Scoring Function for the Characterization of Protein-Ligand Complexes. J. Chem. Inf. Model. 50(10): 1865-1871 (2010) - [j1]Jacob D. Durrant, Rommie E. Amaro, Lei Xie, Michael D. Urbaniak, Michael A. J. Ferguson, Antti Haapalainen, Zhijun Chen, Anne Marie Di Guilmi, Frank Wunder, Philip E. Bourne, James Andrew McCammon:
A Multidimensional Strategy to Detect Polypharmacological Targets in the Absence of Structural and Sequence Homology. PLoS Comput. Biol. 6(1) (2010)
Coauthor Index
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