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Current Opinion in Structural Biology
|
January 30, 2025
Modern machine learning methods for protein property prediction
Arjun Dosajh, Prakul Agrawal, Prathit Chatterjee, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 28, 2013
Solvent-induced helical assembly and reversible chiroptical switching of chiral cyclic-dipeptide-functionalized naphthalenediimides
Shivaprasad Manchineella, V Prathyusha, U Deva Priyakumar, et al.
Journal of Chemical Information and Modeling
|
December 6, 2021
MoleGuLAR: Molecule Generation Using Reinforcement Learning with Alternating Rewards
Manan Goel, Shampa Raghunathan, Siddhartha Laghuvarapu, et al.
The Journal of Physical Chemistry Letters
|
May 31, 2022
Deep Reinforcement Learning for Molecular Inverse Problem of Nuclear Magnetic Resonance Spectra to Molecular Structure
Bhuvanesh Sridharan, Sarvesh Mehta, Yashaswi Pathak, et al.
Plos One
|
November 14, 2013
Molecular dynamics simulations reveal the HIV-1 Vpu transmembrane protein to form stable pentamers
Siladitya Padhi, Nabab Khan, Shahid Jameel, et al.
Journal of the American Chemical Society
|
November 19, 2009
Urea destabilizes RNA by forming stacking interactions and multiple hydrogen bonds with nucleic acid bases
U Deva Priyakumar, Changbong Hyeon, D Thirumalai, et al.
Heliyon
|
February 23, 2023
PREHOST: Host prediction of coronaviridae family using machine learning
Anusha Chaturvedi, Kushal Borkar, U Deva Priyakumar, et al.
ACS Omega
|
January 23, 2023
Latent Biases in Machine Learning Models for Predicting Binding Affinities Using Popular Data Sets
Ganesh Chandan Kanakala, Rishal Aggarwal, Divya Nayar, et al.
Scientific Reports
|
June 21, 2019
Energetic, Structural and Dynamic Properties of Nucleobase-Urea Interactions that Aid in Urea Assisted RNA Unfolding
Tanashree Jaganade, Aditya Chattopadhyay, Nila M Pazhayam, et al.
Journal of Chemical Theory and Computation
|
May 24, 2018
A Probabilistic Framework for Constructing Temporal Relations in Replica Exchange Molecular Trajectories
Aditya Chattopadhyay, Min Zheng, Mark P Waller, et al.
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of 10
Search research articles
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Showing results (51-60 of 99) with videos related to
Sort By:
Page
of 10
Current Opinion in Structural Biology
|
January 30, 2025
Modern machine learning methods for protein property prediction
Arjun Dosajh, Prakul Agrawal, Prathit Chatterjee, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 28, 2013
Solvent-induced helical assembly and reversible chiroptical switching of chiral cyclic-dipeptide-functionalized naphthalenediimides
Shivaprasad Manchineella, V Prathyusha, U Deva Priyakumar, et al.
Journal of Chemical Information and Modeling
|
December 6, 2021
MoleGuLAR: Molecule Generation Using Reinforcement Learning with Alternating Rewards
Manan Goel, Shampa Raghunathan, Siddhartha Laghuvarapu, et al.
The Journal of Physical Chemistry Letters
|
May 31, 2022
Deep Reinforcement Learning for Molecular Inverse Problem of Nuclear Magnetic Resonance Spectra to Molecular Structure
Bhuvanesh Sridharan, Sarvesh Mehta, Yashaswi Pathak, et al.
Plos One
|
November 14, 2013
Molecular dynamics simulations reveal the HIV-1 Vpu transmembrane protein to form stable pentamers
Siladitya Padhi, Nabab Khan, Shahid Jameel, et al.
Journal of the American Chemical Society
|
November 19, 2009
Urea destabilizes RNA by forming stacking interactions and multiple hydrogen bonds with nucleic acid bases
U Deva Priyakumar, Changbong Hyeon, D Thirumalai, et al.
Heliyon
|
February 23, 2023
PREHOST: Host prediction of coronaviridae family using machine learning
Anusha Chaturvedi, Kushal Borkar, U Deva Priyakumar, et al.
ACS Omega
|
January 23, 2023
Latent Biases in Machine Learning Models for Predicting Binding Affinities Using Popular Data Sets
Ganesh Chandan Kanakala, Rishal Aggarwal, Divya Nayar, et al.
Scientific Reports
|
June 21, 2019
Energetic, Structural and Dynamic Properties of Nucleobase-Urea Interactions that Aid in Urea Assisted RNA Unfolding
Tanashree Jaganade, Aditya Chattopadhyay, Nila M Pazhayam, et al.
Journal of Chemical Theory and Computation
|
May 24, 2018
A Probabilistic Framework for Constructing Temporal Relations in Replica Exchange Molecular Trajectories
Aditya Chattopadhyay, Min Zheng, Mark P Waller, et al.
Page
of 10