Pratyush Tiwary
University of Maryland, Baltimore
H-index: 34
North America-United States
Top articles of Pratyush Tiwary
Simulating Crystallization in a Colloidal System Using State Predictive Information Bottleneck based Enhanced Sampling
arXiv preprint arXiv:2404.17722
2024/4/26
Pratyush Tiwary
H-Index: 23
Empowering AlphaFold2 for protein conformation selective drug discovery with AlphaFold2-RAVE
arXiv preprint arXiv:2404.07102
2024/4/10
Pratyush Tiwary
H-Index: 23
An Information Bottleneck Approach for Markov Model Construction
arXiv preprint arXiv:2404.02856
2024/4/3
Graph attention site prediction (grasp): Identifying druggable binding sites using graph neural networks with attention
Journal of Chemical Information and Modeling
2024/3/7
Zachary Smith
H-Index: 4
Pratyush Tiwary
H-Index: 23
Atomic scale insights into NaCl nucleation in nanoconfined environments
arXiv preprint arXiv:2403.00925
2024/3/1
Ruiyu Wang
H-Index: 5
Pratyush Tiwary
H-Index: 23
Is the Local Ion Density Sufficient to Drive NaCl Nucleation from the Melt and Aqueous Solution?
The Journal of Physical Chemistry B
2024/1/23
Ruiyu Wang
H-Index: 5
Pratyush Tiwary
H-Index: 23
Thermodynamically Optimized Machine-Learned Reaction Coordinates for Hydrophobic Ligand Dissociation
The Journal of Physical Chemistry B
2024/1/11
Pratyush Tiwary
H-Index: 23
Calculating Protein-Ligand Residence Times Through State Predictive Information Bottleneck based Enhanced Sampling
bioRxiv
2024
Pratyush Tiwary
H-Index: 23
Quantifying the relevance of long-range forces for crystal nucleation in water
Journal of Chemical Theory and Computation
2023/12/12
Renjie Zhao
H-Index: 5
Pratyush Tiwary
H-Index: 23
Exploring Kinase Asp-Phe-Gly (DFG) Loop Conformational Stability with AlphaFold2-RAVE
Journal of Chemical Information and Modeling
2023/11/20
Pratyush Tiwary
H-Index: 23
Enhanced sampling of crystal nucleation with graph representation learnt variables
arXiv preprint arXiv:2310.07927
2023/10/11
Pratyush Tiwary
H-Index: 23
Inferring phase transitions and critical exponents from limited observations with Thermodynamic Maps
arXiv preprint arXiv:2308.14885
2023/8/28
Pratyush Tiwary
H-Index: 23
Recent advances in describing and driving crystal nucleation using machine learning and artificial intelligence
2023/8/1
Pratyush Tiwary
H-Index: 23
Alphafold2-rave: From sequence to boltzmann ranking
Journal of chemical theory and computation
2023/5/12
Pratyush Tiwary
H-Index: 23
Hinging on Success: Leveraging the Power of CAR T-Cell Therapy through In-Silico Modeling of Hinge Length and Epitope Location
The Journal of Immunology
2023/5/1
Xiang Chen
H-Index: 18
Pratyush Tiwary
H-Index: 23
Computing committors in collective variables via Mahalanobis diffusion maps
Applied and Computational Harmonic Analysis
2023/5/1
Luke Evans
H-Index: 8
Pratyush Tiwary
H-Index: 23
Good Things Take Time: Tiwary–Seeliger Collaboration for Predictive Pharmacodynamics
Angewandte Chemie (International ed. in English)
2023/6/6
Pratyush Tiwary
H-Index: 23
Driving and characterizing nucleation of urea and glycine polymorphs in water
Proceedings of the National Academy of Sciences
2023/2/14
Sun-Ting Tsai
H-Index: 6
Pratyush Tiwary
H-Index: 23
Learning high-dimensional reaction coordinates of fast-folding proteins using State Predictive Information Bottleneck and Bias Exchange Metadynamics
bioRxiv
2023
Co-Authors
