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Journal of Cheminformatics
|
October 17, 2015
BCL::Conf: small molecule conformational sampling using a knowledge based rotamer library
Sandeepkumar Kothiwale, Jeffrey L Mendenhall, Jens Meiler
Molecules (Basel, Switzerland)
|
September 20, 2017
Quantitative Structure-Activity Relationship Modeling of Kinase Selectivity Profiles
Sandeepkumar Kothiwale, Corina Borza, Ambra Pozzi, et al.
Pharmacological Reviews
|
January 2, 2014
Computational methods in drug discovery
Gregory Sliwoski, Sandeepkumar Kothiwale, Jens Meiler, et al.
Journal of Chemical Information and Modeling
|
December 22, 2020
BCL::Conf: Improved Open-Source Knowledge-Based Conformation Sampling Using the Crystallography Open Database
Jeffrey Mendenhall, Benjamin P Brown, Sandeepkumar Kothiwale, et al.
Drug Discovery Today
|
October 7, 2014
Discoidin domain receptor 1 (DDR1) kinase as target for structure-based drug discovery
Sandeepkumar Kothiwale, Corina M Borza, Edward W Lowe, et al.
JAMA Network Open
|
July 8, 2020
External Validation of the Oakland Score to Assess Safe Hospital Discharge Among Adult Patients With Acute Lower Gastrointestinal Bleeding in the US
Kathryn Oakland, Sandeepkumar Kothiwale, Tyler Forehand, et al.
Frontiers in Pharmacology
|
March 10, 2022
Introduction to the BioChemical Library (BCL): An Application-Based Open-Source Toolkit for Integrated Cheminformatics and Machine Learning in Computer-Aided Drug Discovery
Benjamin P Brown, Oanh Vu, Alexander R Geanes, et al.
Nature Communications
|
April 14, 2025
Drugit: crowd-sourcing molecular design of non-peptidic VHL binders
Thomas Scott, Christian Alan Paul Smethurst, Yvonne Westermaier, et al.
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Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Journal of Cheminformatics
|
October 17, 2015
BCL::Conf: small molecule conformational sampling using a knowledge based rotamer library
Sandeepkumar Kothiwale, Jeffrey L Mendenhall, Jens Meiler
Molecules (Basel, Switzerland)
|
September 20, 2017
Quantitative Structure-Activity Relationship Modeling of Kinase Selectivity Profiles
Sandeepkumar Kothiwale, Corina Borza, Ambra Pozzi, et al.
Pharmacological Reviews
|
January 2, 2014
Computational methods in drug discovery
Gregory Sliwoski, Sandeepkumar Kothiwale, Jens Meiler, et al.
Journal of Chemical Information and Modeling
|
December 22, 2020
BCL::Conf: Improved Open-Source Knowledge-Based Conformation Sampling Using the Crystallography Open Database
Jeffrey Mendenhall, Benjamin P Brown, Sandeepkumar Kothiwale, et al.
Drug Discovery Today
|
October 7, 2014
Discoidin domain receptor 1 (DDR1) kinase as target for structure-based drug discovery
Sandeepkumar Kothiwale, Corina M Borza, Edward W Lowe, et al.
JAMA Network Open
|
July 8, 2020
External Validation of the Oakland Score to Assess Safe Hospital Discharge Among Adult Patients With Acute Lower Gastrointestinal Bleeding in the US
Kathryn Oakland, Sandeepkumar Kothiwale, Tyler Forehand, et al.
Frontiers in Pharmacology
|
March 10, 2022
Introduction to the BioChemical Library (BCL): An Application-Based Open-Source Toolkit for Integrated Cheminformatics and Machine Learning in Computer-Aided Drug Discovery
Benjamin P Brown, Oanh Vu, Alexander R Geanes, et al.
Nature Communications
|
April 14, 2025
Drugit: crowd-sourcing molecular design of non-peptidic VHL binders
Thomas Scott, Christian Alan Paul Smethurst, Yvonne Westermaier, et al.
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of 1