December 01, 1981 article Polymorphic transitions in single crystals: A new molecular dynamics method Journal of Applied Physics DOI: 10.1063/1.328693 OpenAlex Authors 0 Author list not loaded yet. Cited by 97 stored of 20,842 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Unidirectional Transmembrane Photoinduced Electron Transfer with Artificial Metallopeptides 2025 Artificial photosynthesis. article Chemistry Photochemistry and Electron Transfer Studies Open access 1 citations Adaptation of DNA to Protein Binding Revealed by Spectroscopy and Molecular Simulation 2025 The Journal of Physical Chemistry B article Biochemistry, Genetics and Molecular Biology DNA and Nucleic Acid Chemistry Open access 2 citations DNA Wrapping by a Tetrameric Bacterial Histone 2025 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Genomics and Chromatin Dynamics Open access 5 citations Prospective Evaluation of Structure-Based Simulations Reveal Their Ability to Predict the Impact of Kinase Mutations on Inhibitor Binding 2025 The Journal of Physical Chemistry B article Computer Science Computational Drug Discovery Methods Open access 12 citations Application of a novel RNA-protein interaction assay to develop inhibitors blocking RNA-binding of the HuR protein 2025 Frontiers in Genetics article Biochemistry, Genetics and Molecular Biology RNA Research and Splicing Open access 0 citations IMERGE-FEP: Improving Relative Free Energy Calculation Convergence with Chemical Intermediates 2025 The Journal of Physical Chemistry B article Computer Science Computational Drug Discovery Methods Open access 3 citations A comprehensive exploration of Na + ion transport in NaSICONs using molecular dynamics simulations 2025 RSC Advances article Engineering Advanced Battery Materials and Technologies Open access 3 citations The significance of lipid membrane curvature and lipid order for nano-C60 uptake 2025 Nanoscale article Biochemistry, Genetics and Molecular Biology Lipid Membrane Structure and Behavior Open access 1 citations Graphene or MoS 2 nanopores: pore adhesion and protein linearization 2024 Nanoscale article Engineering Nanopore and Nanochannel Transport Studies Open access 3 citations Influence of Ionic Liquid Film Thickness and Flow Rate on Macrocyclization Efficiency and Selectivity in Supported Ionic Liquid‐Liquid Phase Catalysis 2024 Chemistry - A European Journal article Chemistry N-Heterocyclic Carbenes in Organic and Inorganic Chemistry Open access 2 citations Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor binding 2024 bioRxiv (Cold Spring Harbor Laboratory) preprint Computer Science Computational Drug Discovery Methods Open access 3 citations Hybrid-DFT Molecular Dynamics Simulations of Photocatalytic Water Oxidation in a [Ru-bda]–Dye Complex 2024 The Journal of Physical Chemistry C article Energy TiO2 Photocatalysis and Solar Cells Open access 2 citations Transport mechanism of DgoT, a bacterial homolog of SLC17 organic anion transporters 2024 The EMBO Journal article Medicine Drug Transport and Resistance Mechanisms Open access 10 citations The phase behavior of skin-barrier lipids: A combined approach of experiments and simulations 2024 Biophysical Journal article Biochemistry, Genetics and Molecular Biology Lipid Membrane Structure and Behavior Open access 8 citations The Sphingosine and Phytosphingosine Ceramide Ratio in Lipid Models Forming the Short Periodicity Phase: An Experimental and Molecular Simulation Study 2024 Langmuir article Biochemistry, Genetics and Molecular Biology Lipid Membrane Structure and Behavior Open access 13 citations Functional in vitro diversity of an intrinsically disordered plant protein during freeze–thawing is encoded by its structural plasticity 2024 Protein Science article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access 10 citations Transport mechanism of DgoT, a bacterial homolog of SLC17 organic anion transporters 2024 bioRxiv (Cold Spring Harbor Laboratory) preprint Medicine Drug Transport and Resistance Mechanisms Open access 2 citations Nucleic acid-binding bis-acridine orange dyes with improved properties for bioimaging and PCR applications 2024 Journal of Materials Chemistry B article Biochemistry, Genetics and Molecular Biology DNA and Nucleic Acid Chemistry Open access 5 citations Atomistic Insights into Hydrogen-Bonded Supramolecular Capsule Self-Assembly Dynamics 2023 The Journal of Physical Chemistry C article Chemistry Supramolecular Chemistry and Complexes Open access 16 citations CGCompiler: Automated Coarse-Grained Molecule Parametrization via Noise-Resistant Mixed-Variable Optimization 2023 Journal of Chemical Theory and Computation article Chemistry Advanced Physical and Chemical Molecular Interactions Open access 17 citations 21–40 of 97 ← Previous Page 2 / 5 Next → References 0