ReviewCurrent pharmaceutical design2014
Molecular mechanics.
Review in Current pharmaceutical design, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 45 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
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.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
45 citing papers in PubMed.
- Graphene Oxide-Hydroxyapatite Nanocomposite Coatings and Extracellular Matrix Protein Interactions for Enhanced Osseointegration in Dental Implants.Journal of cellular and molecular medicine · 2026Article
- Hydrogen Atomic Motions in Different Intramolecular Environments: HThe journal of physical chemistry letters · 2026Article
- Selection of short Gadd45β-binding peptides through a synergistic computational and biophysical approach.Protein science : a publication of the Protein Society · 2025Article
- Detailed atomistic investigation of aggregation and interaction of teriparatide in aqueous media.Scientific reports · 2025Article
- Molecular dynamics simulation of polymerization kinetics, dimensional stability, and in silico toxicity of nextgeneration silicone impression materials in dentistry.Journal of materials science. Materials in medicine · 2025Article
- Rapid and Accurate Estimation of Quantum Average Electron Densities Using Newly-Defined Atom Types.ACS omega · 2025Article
- Decoding Drug Discovery: Exploring A-to-Z In Silico Methods for Beginners.Applied biochemistry and biotechnology · 2025Review
- Validating Structural Predictions of Conjugated Macromolecules in Espaloma-Enabled Reproducible Workflows.International journal of molecular sciences · 2025Article
- Investigating Pb2 CAP-binding domain inhibitors from marine bacteria for targeting the influenza A H5N1.PloS one · 2025Article
- Utilizing Molecular Dynamics Simulations, Machine Learning, Cryo-EM, and NMR Spectroscopy to Predict and Validate Protein Dynamics.International journal of molecular sciences · 2024Review
- Computational Methodologies in Synthesis, Preparation and Application of Antimicrobial Polymers, Biomolecules, and Nanocomposites.Polymers · 2024Review
- 6-Gingerol modulates miRNAs and PODXL gene expression via methyltransferase enzymes in NB4 cells: an in silico and in vitro study.Scientific reports · 2024Article
- Catechin-Induced changes in PODXL, DNMTs, and miRNA expression in Nalm6 cells: an integrated in silico and in vitro approach.BMC complementary medicine and therapies · 2024Article
- In silico assessment of biocompatibility and toxicity: molecular docking and dynamics simulation of PMMA-based dental materials for interim prosthetic restorations.Journal of materials science. Materials in medicine · 2024Article
- Development of potent isoflavone-based formyl peptide receptor 1 (FPR1) antagonists and their effects in gastric cancer cell models.European journal of medicinal chemistry · 2023Article
- SwissParam 2023: A Modern Web-Based Tool for Efficient Small Molecule Parametrization.Journal of chemical information and modeling · 2023Article
- Electron density mapping of boron clustersRSC advances · 2023Article
- Evaluation of antibiofilm properties of dehydroacetic acid (DHA) grafted spiro-oxindolopyrrolidines synthesized via multicomponent 1,3-dipolar cycloaddition reaction.Scientific reports · 2023Article
- AIMD-Chig: Exploring the conformational space of a 166-atom protein Chignolin with ab initio molecular dynamics.Scientific data · 2023Article
- SDEGen: learning to evolve molecular conformations from thermodynamic noise for conformation generation.Chemical science · 2023Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
Abstract
Molecular Mechanics (MM) force fields are the methods of choice for protein simulations, which are essential in the study of conformational flexibility. Given the importance of protein flexibility in drug binding, MM is involved in most if not all Computational Structure-Based Drug Discovery (CSBDD) projects. This paper introduces the reader to the fundamentals of MM, with a special emphasis on how the target data used in the parametrization of force fields determine their strengths and weaknesses. Variations and recent developments such as polarizable force fields are discussed. The paper ends with a brief overview of common force fields in CSBDD.
Indexed as
Identifiers
What OpenQuestion holds
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.