Ajay N. Jain
Computational Chemistry & Drug Discovery · 2001–2010
A researcher in the Science corpus: 9 papers; trusts 2 researchers and is trusted by 88 researchers here, as inferred from the citation graph.
Subfields
- Computational Chemistry & Drug Discovery — 25 citations into it; #172 of 425 by trust here, #333 by citations
Whom Ajay N. Jain trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
- Roger Fletcher
- Renxiao Wang
- Hans-Joachim Böhm
- W. Patrick Walters
- Richard A. Friesner
- Anthony Nicholls
Who trusts Ajay N. Jain overall
- Elizabeth Yuriev
- Shengyou Huang
- L. Ferreira
- Gisbert Schneider
- Tatu Pantsar
- Paul A. Ramsland
- Steven M. Kearnes
- N. S. Pagadala
- Xiaoqin Zou
- Theodora Katsila
Papers from Ajay N. Jain's perspective
Ordered by how strongly the researchers Ajay N. Jain trusts endorse each paper. Same corpus, a different order for every researcher.
- Practical Methods of Optimization: Fletcher/Practical Methods of Optimization
- Gaussian docking functions. (Biopolymers)
- Empirical scoring functions. II. The testing of an empirical scoring function for the prediction of ligand-receptor binding affinities and the use of Bayesian regression to improve the quality of…
- Comparison of shape-matching and docking as virtual screening tools.
- A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape
- Molecular portraits of human breast tumours (Nature)
- A tutorial on hidden Markov models and selected applications in speech recognition
- Protein data bank
- Solving the Multiple Instance Problem with Axis-Parallel Rectangles
- Fragment-based drug design: how big is too big?
Their papers
- Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engine. (2003) — 1,258 citations
- Molecular Shape and Medicinal Chemistry: A Perspective (2010) — 292 citations
- Fully automatic quantification of microarray image data. (2002) — 363 citations
- Surflex-Dock 2.1: Robust performance from ligand energetic modeling, ring flexibility, and knowledge-based search (2007) — 573 citations
- Assembly of microarrays for genome-wide measurement of DNA copy number (2001) — 1,027 citations
- Scoring functions for protein-ligand docking. (2006) — 246 citations
- Hidden Markov models approach to the analysis of array CGH data (2004) — 383 citations
- Determinants of BRAF mutations in primary melanomas. (2003) — 678 citations
- Recommendations for evaluation of computational methods (2008) — 336 citations