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Jacob 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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last updated on 2024-08-23 18:32 CEST by the dblp team
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