Carlos Simmerling
Molecular Biology · 2005–2023
A researcher in the Science corpus: 7 papers; trusts 12 researchers and is trusted by 5 researchers here, as inferred from the citation graph.
Subfields
- Molecular Biology — 130 citations into it; #6,920 of 17,773 by trust here, #1,728 by citations
- Materials Chemistry — 71 citations into it; #5,047 of 11,513 by trust here, #3,307 by citations
- Atomic and Molecular Physics, and Optics — 45 citations into it; #5,078 of 7,135 by trust here, #2,668 by citations
- Computational Biology & Bioinformatics — 19 citations into it
- Statistical and Nonlinear Physics — 8 citations into it
Whom Carlos Simmerling trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
Who trusts Carlos Simmerling overall
Papers from Carlos Simmerling's perspective
Ordered by how strongly the researchers Carlos Simmerling trusts endorse each paper. Same corpus, a different order for every researcher.
- Protein data bank
- Improved protein structure prediction using potentials from deep learning
- How Fast-Folding Proteins Fold (Science)
- Escaping free-energy minima
- The Amber biomolecular simulation programs
- Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling
- Anton, a special-purpose machine for molecular dynamics simulation
- Ab Initio Protein Structure Assembly Using Continuous Structure Fragments and Optimized Knowledge-based Force Field
- Automatic differentiation in PyTorch
- Markov models of molecular kinetics: generation and validation.
Their papers
- The Amber biomolecular simulation programs (2005) — 8,841 citations
- Comparison of multiple Amber force fields and development of improved protein backbone parameters (2006) — 6,725 citations
- ff14SB: Improving the accuracy of protein side chain and backbone parameters from ff99SB (2015) — 9,785 citations
- Improved Generalized Born Solvent Model Parameters for Protein Simulations (2013) — 536 citations
- ff19SB: Amino-acid specific protein backbone parameters trained against quantum mechanics energy surfaces in solution (2019) — 2,086 citations
- AmberTools (2023) — 1,578 citations
- Protein storytelling through physics (2020) — 67 citations