Brajesh Kumar Rai

Computational Chemistry & Drug Discovery · 2009–2013

A researcher in the Science corpus: 2 papers; trusts 7 researchers and is trusted by 0 researchers here, as inferred from the citation graph.

Subfields

• Computational Chemistry & Drug Discovery — 12 citations into it
• Materials Chemistry — 12 citations into it

Whom Brajesh Kumar Rai trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. David Ruppert
2. Carl E. Rasmussen
3. Christopher K. I. Williams
4. J. Behler
5. Anthony Nicholls
6. Brian K. Shoichet
7. Hans-Joachim Böhm
8. Pearu Peterson

Papers from Brajesh Kumar Rai's perspective

Ordered by how strongly the researchers Brajesh Kumar Rai trusts endorse each paper. Same corpus, a different order for every researcher.

1. Gaussian Processes for Machine Learning (Adaptive Computation and Machine Learning)
2. Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy.
3. Benchmarking sets for molecular docking.
4. Evaluating Virtual Screening Methods: Good and Bad Metrics for the "Early Recognition" Problem
5. Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
6. Development and validation of a modular, extensible docking program: DOCK 5 (J. Comput. Aided Mol. Des.)
7. Molecular docking using shape descriptors
8. Recommendations for evaluation of computational methods
9. The Elements of Statistical Learning: Data Mining, Inference, and Prediction
10. Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations. (Journal of Medicinal Chemistry)

Their papers

• Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy (2009) — 443 citations
• Fast and accurate generation of ab initio quality atomic charges using nonparametric statistical regression (2013) — 44 citations