Brajesh Rai
5PUBLICATIONS
11CO-AUTHORS
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Publications (5)
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|Jul 31, 2025
HLAIIPred: cross-attention mechanism for modeling the interaction of HLA class II molecules with peptides.Mojtaba Haghighatlari, Nicholas Marze, Robert Seward
|Dec 29, 2023
Development and Comprehensive Benchmark of a High-Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation.Bai Xue, Qingyi Yang, Qiaochu Zhang
|Mar 13, 2023
Can We Quickly Learn to "Translate" Bioactive Molecules with Transformer Models?Emma P Tysinger, Brajesh K Rai, Anton V Sinitskiy
|Feb 04, 2022
TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics.Brajesh K Rai, Vishnu Sresht, Qingyi Yang
|Oct 02, 2019
Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations.Brajesh K Rai, Vishnu Sresht, Qingyi Yang
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Frequent Collaborators
3 joint publications
Qingyi Yang
2 joint publications
Ray Unwalla
1 joint publications
Anton V Sinitskiy
1 joint publications
Bai Xue
1 joint publications
Gianpaolo Gobbo
1 joint publications
Frank C Pickard
1 joint publications
Junmei Wang
1 joint publications
Mingjun Yang
1 joint publications
Mojtaba Haghighatlari
1 joint publications
Timothy P Hickling
