Jan H. Jensen
Computational Chemistry & Drug Discovery · 2005–2018
A researcher in the Science corpus: 8 papers; trusts 1 researcher and is trusted by 22 researchers here, as inferred from the citation graph.
Subfields
- Computational Chemistry & Drug Discovery — 11 citations into it
- Computational Biology & Bioinformatics — 8 citations into it
Whom Jan H. Jensen trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
Who trusts Jan H. Jensen overall
- Yuanqi Du
- Tianfan Fu
- Nathan Brown
- Emmanuel Bengio
- Kexin Huang
- Marco Fiscato
- Wenhao Gao
- Moksh Jain
- Jimeng Sun
- Tânia F Cova
Papers from Jan H. Jensen's perspective
Ordered by how strongly the researchers Jan H. Jensen trusts endorse each paper. Same corpus, a different order for every researcher.
- VMD: visual molecular dynamics.
- Exploring Deep Recurrent Models with Reinforcement Learning for Molecule Design
- The Amber biomolecular simulation programs
- How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules? (Journal of Computational Chemistry)
- Electrostatics of nanosystems: Application to microtubules and the ribosome (Proceedings of the National Academy of Sciences of the United States of America)
- MultiSeq: unifying sequence and structure data for evolutionary analysis (BMC Bioinformatics)
- Long Short-Term Memory
- Adam: A Method for Stochastic Optimization (International Conference on Learning Representations)
- Generating Sequences With Recurrent Neural Networks
- Gradient-based learning applied to document recognition
Their papers
- Very fast prediction and rationalization of pKa values for protein–ligand complexes (2008) — 1,065 citations
- PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations (2007) — 1,956 citations
- A graph-based genetic algorithm and generative model/Monte Carlo tree search for the exploration of chemical space (2018) — 389 citations
- PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKa Predictions. (2011) — 4,058 citations
- Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of pKa Values. (2011) — 1,804 citations
- Very fast empirical prediction and rationalization of protein pKa values (2005) — 2,011 citations
- Graphical analysis of pH-dependent properties of proteins predicted using PROPKA (2011) — 413 citations
- Chapter 10 The Effective Fragment Potential: A General Method for Predicting Intermolecular Interactions (2007) — 171 citations