33 results on '"Tiwary, Pratyush"'
Search Results
2. Generative artificial intelligence for computational chemistry: a roadmap to predicting emergent phenomena
3. Augmenting Human Expertise in Weighted Ensemble Simulations through Deep Learning based Information Bottleneck
4. Simulating Crystallization in a Colloidal System Using State Predictive Information Bottleneck based Enhanced Sampling
5. Empowering AlphaFold2 for protein conformation selective drug discovery with AlphaFold2-RAVE
6. An Information Bottleneck Approach for Markov Model Construction
7. Atomic scale insights into NaCl nucleation in nanoconfined environments
8. IJCM_279A: Evaluation of diabetes mellitus as a risk factor for urinary tract infection in women: A case control study
9. Information Bottleneck Approach for Markov Model Construction
10. JARVIS-Leaderboard: a large scale benchmark of materials design methods
11. From Latent Dynamics to Meaningful Representations
12. Thermodynamics-inspired explanations of artificial intelligence.
13. Calculating Protein–Ligand Residence Times through State Predictive Information Bottleneck Based Enhanced Sampling.
14. Enhanced Sampling of Crystal Nucleation with Graph Representation Learnt Variables
15. Enhanced Sampling with Machine Learning
16. Is the Local Ion Density Sufficient to Drive NaCl Nucleation from the Melt and Aqueous Solution?
17. Exploring Kinase Asp-Phe-Gly (DFG) Loop Conformational Stability with AlphaFold2-RAVE.
18. Thermodynamically Optimized Machine-Learned Reaction Coordinates for Hydrophobic Ligand Dissociation.
19. Modeling prebiotic chemistries with quantum accuracy at classical costs.
20. Editorial: Developments of Theoretical and Computational Chemistry Methods in Asia
21. Unraveling drug dissociation kinetics through state predictive information bottleneck-based enhanced sampling
22. Enhancing CAR T cell therapy through in silicomodeling of hinge sequence length based on epitope location
23. Analyzing and enhancing protein dynamics with artificial intelligence
24. Insights into the discrepancy between affinity and activation in F. ulceransZTP riboswitch activators through structure-informed design and machine learning-augmented molecular dynamics simulations
25. Characterizing RNA conformational ensembles with thermodynamic maps
26. Molecular Determinants and Bottlenecks in the Dissociation Dynamics of Biotin–Streptavidin
27. Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
28. Machine learning-augmented molecular dynamics simulations (MD) reveal insights into the disconnect between affinity and activation of ZTP riboswitch ligands.
29. Empowering AlphaFold2 for protein conformation selective drug discovery with AlphaFold2-RAVE.
30. Simulating Crystallization in a Colloidal System Using State Predictive Information Bottleneck Based Enhanced Sampling.
31. Augmenting Human Expertise in Weighted Ensemble Simulations through Deep Learning based Information Bottleneck.
32. An Information Bottleneck Approach for Markov Model Construction.
33. Calculating Protein-Ligand Residence Times Through State Predictive Information Bottleneck based Enhanced Sampling.
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.