Kenneth M. Merz Jr.
Journal of Medicinal Chemistry · 1993–2017
A researcher in the Science corpus: 6 papers; trusts 0 researchers and is trusted by 6 researchers here, as inferred from the citation graph.
Who trusts Kenneth M. Merz Jr. overall
- Mukund Deshpande
- Luca Pinzi
- Xuanyu Meng
- Michihiro Kuramochi
- Namrata Anand-Achim
- Elizabeth Durham
- Giulio Rastelli
Papers from Kenneth M. Merz Jr.'s perspective
Ordered by how strongly the researchers Kenneth M. Merz Jr. trusts endorse each paper. Same corpus, a different order for every researcher.
- A general and fast scoring function for protein-ligand interactions: a simplified potential approach.
- Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins.
- A computational procedure for determining energetically favorable binding sites on biologically important macromolecules.
- Development and validation of a genetic algorithm for flexible docking.
- Evaluation of PMF scoring in docking weak ligands to the FK506 binding protein.
- Flexible docking using tabu search and an empirical estimate of binding affinity
- The Protein Data Bank: a computer-based archival file for macromolecular structures.
- \the Protein Data Bank: a Computer-based Archival Le for Macromolecular Structures,"
- Genetic Algorithms in Search Optimization and Machine Learning
- Adaptation in Natural and Artificial Systems: An Introductory Analysis with Applications to Biology, Control, and Artificial Intelligence
Their papers
- The Amber biomolecular simulation programs (2005) — 8,841 citations
- High throughput docking for library design and library prioritization (2001) — 310 citations
- Prediction of drug absorption using multivariate statistics. (2000) — 1,750 citations
- The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions. (2017) — 109 citations
- A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules J. Am. Chem. Soc. 1995, 117, 5179−5197 (1996)
- Rapid approximation to molecular surface area via the use of Boolean logic and look‐up tables (1993)