ReviewCurrent opinion in structural biology2014
Design and application of implicit solvent models in biomolecular simulations.
Review in Current opinion in structural biology, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 47 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
47 citing papers in PubMed.
- Reaction Engineering of In Vitro Natural Product Biosynthesis: Challenges and Strategies.Chembiochem : a European journal of chemical biology · 2025Review
- Molecular Dynamics Simulations of RNA Stem-Loop Folding Using an Atomistic Force Field and a Generalized Born Implicit Solvent.ACS omega · 2025Article
- Implicit Solvent Models and Their Applications in Biophysics.Biomolecules · 2025Review
- A Computational Perspective to Intermolecular Interactions and the Role of the Solvent on Regulating Protein Properties.Chemical reviews · 2025Review
- Molecular Modelling in Bioactive Peptide Discovery and Characterisation.Biomolecules · 2025Review
- Design of Potent Telomerase Inhibitors using Ligand-based Approaches and Molecular Dynamics Simulations Studies.Current drug discovery technologies · 2025Article
- Supervised Screening of EGFR Inhibitors Validated through Computational Structural Biology Approaches.ACS medicinal chemistry letters · 2024Article
- Differentiable simulation to develop molecular dynamics force fields for disordered proteins.Chemical science · 2024Article
- Isolation, Characterization, Genome Annotation, and Evaluation of Tyrosinase Inhibitory Activity in Secondary Metabolites ofInternational journal of molecular sciences · 2024Article
- A generalized Kirkwood implicit solvent for the polarizable AMOEBA protein model.The Journal of chemical physics · 2023Article
- Entropic Origin of Ionic Interactions in Polar Solvents.The journal of physical chemistry. B · 2023Article
- Heterogeneous and Allosteric Role of Surface Hydration for Protein-Ligand Binding.Journal of chemical theory and computation · 2023Article
- A Guide to In Silico Drug Design.Pharmaceutics · 2022Review
- Generalized Born Implicit Solvent Models Do Not Reproduce Secondary Structures ofJournal of chemical theory and computation · 2022Article
- The Role of Packing, Dispersion, Electrostatics, and Solvation in High-Affinity Complexes of Cucurbit[n]urils with Uncharged Polar Guests.Chemistry (Weinheim an der Bergstrasse, Germany) · 2022Article
- Atomistic Simulations of Functionalized Nano-Materials for Biosensors Applications.International journal of molecular sciences · 2022Review
- Computational Tools for Accurate Binding Free-Energy Prediction.Methods in molecular biology (Clifton, N.J.) · 2022Article
- Metamorphic proteins under a computational microscope: Lessons from a fold-switching RfaH protein.Computational and structural biotechnology journal · 2022Review
- Article
- Replica exchange molecular dynamics simulations reveal self-association sites in M-crystallin caused by mutations provide insights of cataract.Scientific reports · 2021Article
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
We review implicit solvent models and their parametrisation by introducing the concepts and recent devlopments of the most popular models with a focus on parametrisation via force matching. An overview of recent applications of the solvation energy term in protein dynamics, modelling, design and prediction is given to illustrate the usability and versatility of implicit solvation in reproducing the physical behaviour of biomolecular systems. Limitations of implicit modes are discussed through the example of more challenging systems like nucleic acids and membranes.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.