On the public citation graph
Tracking Dehydration Mechanisms in Crystalline Hydrates with Molecular Dynamics Simulations
0 signed · 66 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/14651858.cd004234.pub2openalex-snapshot
Single dose oral naproxen and naproxen sodium for acute postoperative pain
inferredcites →https://doi.org/10.1002/jcc.21367openalex-snapshot
CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fields
inferredcites →https://doi.org/10.1002/jcc.21759openalex-snapshot
Effect of the damping function in dispersion corrected density functional theory
inferredcites →https://doi.org/10.1002/jps.10400openalex-snapshot
Model-free treatment of the dehydration kinetics of nedocromil sodium trihydrate
inferredcites →https://doi.org/10.1002/qua.24658openalex-snapshot
C RYSTAL14 : A program for theab initioinvestigation of crystalline solids
inferredcites →https://doi.org/10.1007/bf02857795openalex-snapshot
The crystal structure of naproxen sodium, (C14H13O3Na), a non-steroidal antiinflammatory agent
inferredcites →https://doi.org/10.1007/s11095-012-0872-8openalex-snapshot
Exploring the Solid-Form Landscape of Pharmaceutical Hydrates: Transformation Pathways of the Sodium Naproxen Anhydrate-Hydrate System
inferredcites →https://doi.org/10.1016/j.softx.2015.06.001openalex-snapshot
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
inferredcites →https://doi.org/10.1016/j.xphs.2016.10.005openalex-snapshot
Computational Dehydration of Crystalline Hydrates Using Molecular Dynamics Simulations
inferredcites →https://doi.org/10.1016/s0040-6031(00)00448-2openalex-snapshot
Structure and order in thermal dehydrations of crystalline solids
inferredcites →https://doi.org/10.1021/acs.jmedchem.5b01684openalex-snapshot
Role of Molecular Dynamics and Related Methods in Drug Discovery
inferredcites →https://doi.org/10.1021/cg050149sopenalex-snapshot
Propagation of Solid-State Transformations by Dehydration and Stabilization of Pseudopolymorphic Crystals of Sodium Naproxen
inferredcites →https://doi.org/10.1021/cg800684vopenalex-snapshot
Mechanisms for Dehydration of Three Sodium Naproxen Hydrates
inferredcites →https://doi.org/10.1021/cm9600438openalex-snapshot
Mechanism of Several Solid−Solid Transformations between Dihydrated and Anhydrous Copper(II) 8-Hydroxyquinolinates. Proposition for a Unified Model for the Dehydration of Molecular Crystals
inferredcites →https://doi.org/10.1021/ct300400xopenalex-snapshot
Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ 1 and χ 2 Dihedral Angles
inferredcites →https://doi.org/10.1021/jp055982eopenalex-snapshot
Kinetic Insights into the Role of the Solvent in the Polymorphism of 5-Fluorouracil from Molecular Dynamics Simulations
inferredcites →https://doi.org/10.1021/jp501237copenalex-snapshot
DFT-D3 Study of Some Molecular Crystals
inferredcites →https://doi.org/10.1021/js980106gopenalex-snapshot
Physical characterization of nedocromil sodium hydrates
inferredcites →https://doi.org/10.1021/js9900710openalex-snapshot
Solid-state behavior of cromolyn sodium hydrates
inferredcites →https://doi.org/10.1021/mp500334zopenalex-snapshot
Insights into Hydrate Formation and Stability of Morphinanes from a Combination of Experimental and Computational Approaches
inferredcites →https://doi.org/10.1023/a:1016031517430openalex-snapshot
Solid State Characterizations of Pharmaceutical Hydrates
inferredcites →https://doi.org/10.1038/nature21419openalex-snapshot
Functional materials discovery using energy–structure–function maps
inferredcites →https://doi.org/10.1039/c0cp01409eopenalex-snapshot
Molecular dynamics simulations of structure and dynamics of organic molecular crystals
inferredcites →https://doi.org/10.1039/c3ce40749gopenalex-snapshot
Dehydration mechanism of a small molecular solid: 5-nitrouracil hydrate
inferredcites →https://doi.org/10.1039/c5ce00426hopenalex-snapshot
Three anhydrous forms and a dihydrate form of quifenadine hydrochloride: a structural study of the thermodynamic stability and dehydration mechanism
inferredcites →https://doi.org/10.1063/1.3382344openalex-snapshot
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
inferredcites →https://doi.org/10.1063/1.438955openalex-snapshot
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1107/s0108768110031873openalex-snapshot
Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations
inferredcites →https://doi.org/10.1107/s2052252514015450openalex-snapshot
Structural basis for the transformation pathways of the sodium naproxen anhydrate–hydrate system
inferredcites →https://doi.org/10.1107/s2052520616007447openalex-snapshot
Report on the sixth blind test of organic crystal structure prediction methods
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.2139/ssrn.4777290openalex-extracted
Thermomechanical Motion in Single Crystals Triggered by Desolvation Induced Phase Transformation: Molecular Insights and Actuation
inferred← citeshttps://doi.org/10.1002/chem.202203620openalex-snapshot
A Molecular Insight into the Dehydration of a Metal–Organic Framework and its Impact on the CO2 Capture
inferred← citeshttps://doi.org/10.1002/er.6495openalex-snapshot
Study on the sorption mechanism of middle‐low temperature sorption thermal storage materials from the microscale simulation: A review
inferred← citeshttps://doi.org/10.1007/s11095-024-03667-5openalex-snapshot
An Evaluation of Wet Granulation Process Selection for API Prone to Polymorphic Form Conversion in the Presence of Moisture and Heat
inferred← citeshttps://doi.org/10.1016/j.enggeo.2025.108020openalex-snapshot
Fault materials and creep characteristics in mudstone areas: A case study of Chegualin Fault in southwestern Taiwan
inferred← citeshttps://doi.org/10.1016/j.ijpharm.2023.122893openalex-snapshot
Dehydration kinetics and mechanism of the stable isonicotinamide hydrate revealed by terahertz spectroscopy and DFT calculation
inferred← citeshttps://doi.org/10.1016/j.mtchem.2024.102309openalex-snapshot
Thermomechanical motion in single crystals triggered by de-solvation induced structural transformation: Molecular insights and actuation
inferred← citeshttps://doi.org/10.1016/j.trac.2021.116272openalex-snapshot
Advances in terahertz time-domain spectroscopy of pharmaceutical solids: A review
inferred← citeshttps://doi.org/10.1021/acs.cgd.0c00797openalex-snapshot
Terahertz Vibrational Motions Mediate Gas Uptake in Organic Clathrates
inferred← citeshttps://doi.org/10.1021/acs.cgd.3c01491openalex-snapshot
Halogen and Hydrogen Bonding Interplay Triggered Reversible Phase Transformations through Water Release/Uptake: X-ray Powder Diffraction Studies on Halogen-Substituted 1,4-Bis(4,5-diphenyl-imidazolyl)benzene
inferred← citeshttps://doi.org/10.1021/acs.cgd.4c01423openalex-snapshot
Terahertz Geoscience: THz Time-Domain Spectroscopy for Mineral Materials
inferred← citeshttps://doi.org/10.1021/acs.cgd.5c00180openalex-snapshot
Unconventional Dehydration Pathway of an Elusive Organic Sodium Salt Hydrate
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.3c03101openalex-snapshot
In-Depth Investigation of the Mechanism of Dehydration-Induced Phase Transformation from Nb3O7(OH) to H-Nb2O5: A Theoretical and Experimental Approach
inferred← citeshttps://doi.org/10.1021/acs.jpca.9b00792openalex-snapshot
Effects of Solvent Stabilization on Pharmaceutical Crystallization: Investigating Conformational Polymorphism of Probucol Using Combined Solid-State Density Functional Theory, Molecular Dynamics, and Terahertz Spectroscopy
inferred← citeshttps://doi.org/10.1021/acs.jpcb.1c07655openalex-snapshot
Impact of Solvent–Drug Interactions on the Desolvation of a Pharmaceutical Solvate
inferred← citeshttps://doi.org/10.1021/acs.jpcb.2c04609openalex-snapshot
Effect of Solvent Removal Rate and Annealing on the Interface Properties in a Blend of a Diketopyrrolopyrrole-Based Polymer with Fullerene
inferred← citeshttps://doi.org/10.1021/acs.oprd.0c00475openalex-snapshot
Robust Process Scale-Up Leveraging Design of Experiments to Map Active Pharmaceutical Ingredient Humid Drying Parameter Space
inferred← citeshttps://doi.org/10.1021/jacs.3c05279openalex-snapshot
Creating Order in Ultrastable Phosphonate Metal–Organic Frameworks via Isolable Hydrogen-Bonded Intermediates
inferred← citeshttps://doi.org/10.1038/s41598-019-43959-0openalex-snapshot
Imaging of dehydration in particulate matter using Raman line-focus microscopy
inferred← citeshttps://doi.org/10.1038/s41598-020-67179-zopenalex-snapshot
Transformation of terahertz vibrational modes of cytosine under hydration
inferred← citeshttps://doi.org/10.1039/c8fd00042eopenalex-snapshot
Predicting the structures and associated phase transition mechanisms in disordered crystals via a combination of experimental and theoretical methods
inferred← citeshttps://doi.org/10.1039/c9ce00460bopenalex-snapshot
Determining short-lived solid forms during phase transformations using molecular dynamics
inferred← citeshttps://doi.org/10.1039/c9ce01743gopenalex-snapshot
Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host–guest complexes with dopamine
inferred← citeshttps://doi.org/10.1039/d3ce00395gopenalex-snapshot
Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system
inferred← citeshttps://doi.org/10.1039/d4ce00798kopenalex-snapshot
Different thermal and solubility properties with an identical crystal structure – case of lenalidomide hydrate
inferred← citeshttps://doi.org/10.1039/d5ce00652jopenalex-snapshot
Recent developments on co-crystal polymorphs: from formation to prediction
inferred← citeshttps://doi.org/10.1107/s205225251801686xopenalex-snapshot
A jumping crystal predicted with molecular dynamics and analysed with TLS refinement against powder diffraction data
inferred← citeshttps://doi.org/10.1107/s2053229618012639openalex-snapshot
Crystal structure and sequential dehydration transitions of disodium guanosine 5′-monophosphate tetrahydrate
inferred← citeshttps://doi.org/10.2139/ssrn.4897980openalex-snapshot
Different Thermal and Dissolution Properties with Identical Crystal Structure - Case of Lenalidomide
inferred← citeshttps://doi.org/10.2174/9789815179934123010009openalex-snapshot
Molecular Simulation in Drug Design: An Overview of Molecular Dynamics Methods
inferred← citeshttps://doi.org/10.33612/diss.193912062openalex-snapshot
In Silico Design and Selection of CD44 Antagonists
inferred← citeshttps://doi.org/10.3389/fmolb.2020.604770openalex-snapshot
Mechanistic Understanding From Molecular Dynamics Simulation in Pharmaceutical Research 1: Drug Delivery
inferred← citeshttps://doi.org/10.3390/cryst10080667openalex-snapshot
Synthesis, Crystal Structure and Solid State Transformation of 1,2-Bis[(1-methyl-1H-imidazole-2-yl)thio]ethane
inferred← citeshttps://doi.org/10.3390/pr9010071openalex-snapshot
Molecular Dynamics Simulations in Drug Discovery and Pharmaceutical Development
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.