Anthony Nicholls
Computational Theory and Mathematics · 2001–2012
A researcher in the Science corpus: 11 papers; trusts 10 researchers and is trusted by 42 researchers here, as inferred from the citation graph.
Subfields
- Computational Theory and Mathematics — 43 citations into it; #2,543 of 12,182 by trust here, #845 by citations
- Molecular Biology — 39 citations into it; #1,511 of 17,773 by trust here, #3,681 by citations
- Computational Chemistry & Drug Discovery — 24 citations into it; #176 of 425 by trust here, #264 by citations
- Materials Chemistry — 14 citations into it; #1,023 of 11,513 by trust here, #4,262 by citations
- Organic Chemistry — 14 citations into it
- Pharmacology — 11 citations into it; #245 of 1,112 by trust here, #387 by citations
Whom Anthony Nicholls trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
- Niu Huang
- Georgia B. McGaughey
- S. Parasuraman
- Thomas J. Oldfield
- Brian K. Shoichet
- M. Pepe
- John J. Irwin
- Robert P. Sheridan
- W. Patrick Walters
- Elizabeth R. DeLong
Who trusts Anthony Nicholls overall
- Mark McGann
- Sereina Riniker
- Gisbert Schneider
- Steven M. Kearnes
- Jason B. Cross
- Shengyou Huang
- Gregory A. Landrum
- Jocelyn Sunseri
- Sunghwan Kim
- Evan E. Bolton
Papers from Anthony Nicholls's perspective
Ordered by how strongly the researchers Anthony Nicholls trusts endorse each paper. Same corpus, a different order for every researcher.
- Protein data bank
- Comparison of shape-matching and docking as virtual screening tools.
- Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
- A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape
- 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…
- Solving the Multiple Instance Problem with Axis-Parallel Rectangles
- Fragment-based drug design: how big is too big?
- The Structure of Scientific Revolutions
- X-LIGAND: an application for the automated addition of flexible ligands into electron density.
- The properties of known drugs. 1. Molecular frameworks.
Their papers
- Comparison of shape-matching and docking as virtual screening tools. (2007) — 917 citations
- A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction. (2005) — 556 citations
- Molecular Shape and Medicinal Chemistry: A Perspective (2010) — 292 citations
- Molecular shape and electrostatics in the encoding of relevant chemical information (2005) — 42 citations
- Conformer Generation with OMEGA: Learning from the Data Set and the Analysis of Failures (2012) — 393 citations
- A smooth permittivity function for Poisson–Boltzmann solvation methods (2001) — 317 citations
- Gaussian docking functions. (2003) — 442 citations
- Essential considerations for using protein-ligand structures in drug discovery. (2012) — 150 citations
- Recommendations for evaluation of computational methods (2008) — 336 citations
- What do we know and when do we know it? (2008) — 219 citations
- Rapid grid‐based construction of the molecular surface and the use of induced surface charge to calculate reaction field energies: Applications to the molecular systems and geometric objects (2002) — 648 citations