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BMC Pharmacology
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September 1, 2011
Towards the development of novel Trypanosoma brucei RNA editing ligase 1 inhibitors
Jacob D Durrant, J Andrew McCammon
Current Opinion in Pharmacology
|
October 5, 2010
Computer-aided drug-discovery techniques that account for receptor flexibility
Jacob D Durrant, J Andrew McCammon
Journal of Chemical Information and Modeling
|
February 7, 2022
BINANA 2: Characterizing Receptor/Ligand Interactions in Python and JavaScript
Jade Young, Neerja Garikipati, Jacob D Durrant
Protein Science : a Publication of the Protein Society
|
March 12, 2023
Allosteric inhibition of TEM-1 β lactamase: Microsecond molecular dynamics simulations provide mechanistic insights
Erich Hellemann, Amrita Nallathambi, Jacob D Durrant
Journal of Cheminformatics
|
November 1, 2017
Scoria: a Python module for manipulating 3D molecular data
Patrick Ropp, Aaron Friedman, Jacob D Durrant
Scientific Reports
|
September 5, 2024
Teaching old docks new tricks with machine learning enhanced ensemble docking
Roshni Bhatt, Ann Wang, Jacob D Durrant
Chemical Biology & Drug Design
|
May 19, 2012
LigMerge: a fast algorithm to generate models of novel potential ligands from sets of known binders
Steffen Lindert, Jacob D Durrant, J Andrew McCammon
Chemical Science
|
July 1, 2021
DeepFrag: a deep convolutional neural network for fragment-based lead optimization
Harrison Green, David R Koes, Jacob D Durrant
Journal of Chemical Information and Modeling
|
June 7, 2024
CENsible: Interpretable Insights into Small-Molecule Binding with Context Explanation Networks
Roshni Bhatt, David Ryan Koes, Jacob D Durrant
Drug Development Research
|
May 2, 2023
Computational and experimental analyses of alanine racemase suggest new avenues for developing allosteric small-molecule antibiotics
Arie van Wieren, Jacob D Durrant, Sudipta Majumdar
Page
of 8
Search research articles
Search
Showing results (21-30 of 80) with videos related to
Sort By:
Page
of 8
BMC Pharmacology
|
September 1, 2011
Towards the development of novel Trypanosoma brucei RNA editing ligase 1 inhibitors
Jacob D Durrant, J Andrew McCammon
Current Opinion in Pharmacology
|
October 5, 2010
Computer-aided drug-discovery techniques that account for receptor flexibility
Jacob D Durrant, J Andrew McCammon
Journal of Chemical Information and Modeling
|
February 7, 2022
BINANA 2: Characterizing Receptor/Ligand Interactions in Python and JavaScript
Jade Young, Neerja Garikipati, Jacob D Durrant
Protein Science : a Publication of the Protein Society
|
March 12, 2023
Allosteric inhibition of TEM-1 β lactamase: Microsecond molecular dynamics simulations provide mechanistic insights
Erich Hellemann, Amrita Nallathambi, Jacob D Durrant
Journal of Cheminformatics
|
November 1, 2017
Scoria: a Python module for manipulating 3D molecular data
Patrick Ropp, Aaron Friedman, Jacob D Durrant
Scientific Reports
|
September 5, 2024
Teaching old docks new tricks with machine learning enhanced ensemble docking
Roshni Bhatt, Ann Wang, Jacob D Durrant
Chemical Biology & Drug Design
|
May 19, 2012
LigMerge: a fast algorithm to generate models of novel potential ligands from sets of known binders
Steffen Lindert, Jacob D Durrant, J Andrew McCammon
Chemical Science
|
July 1, 2021
DeepFrag: a deep convolutional neural network for fragment-based lead optimization
Harrison Green, David R Koes, Jacob D Durrant
Journal of Chemical Information and Modeling
|
June 7, 2024
CENsible: Interpretable Insights into Small-Molecule Binding with Context Explanation Networks
Roshni Bhatt, David Ryan Koes, Jacob D Durrant
Drug Development Research
|
May 2, 2023
Computational and experimental analyses of alanine racemase suggest new avenues for developing allosteric small-molecule antibiotics
Arie van Wieren, Jacob D Durrant, Sudipta Majumdar
Page
of 8