yusuke1997/dblp-id-title huggingface dataset:
Development of a novel weighting scheme for the k-nearest-neighbor algorithm
DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis
Predicting Antimicrobial Class Specificity of Small Molecules Using Machine Learning
A Historical Excursus on the Statistical Validation Parameters for QSAR Models: A Clarification Concerning Metrics and Terminology
Detecting Drug Promiscuity Using Gaussian Ensemble Screening
Dynamics and Allosteric Information Pathways of Unphosphorylated c-Cbl
Indexing and abstracting chemical information: the view of two industrial chemists
Cross-Docking of Inhibitors into CDK2 Structures. 2
PocketAlign A Novel Algorithm for Aligning Binding Sites in Protein Structures
Domain-oriented knowledge-acquisition tool for protein purification planning
Harvesting Classification Trees for Drug Discovery
HMIMS: Hazardous Materials Incident Management System for Air Force fire departments
Generalization of the Graph Center Concept, and Derived Topological Centric Indexes
Structure-Function Analysis of Resistance to Bamlanivimab by SARS-CoV-2 Variants Kappa, Delta, and Lambda
d-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations
Chemometrical Classification of Ephrin Ligands and Eph Kinases Using GRID/CPCA Approach
Comparing the Performance of FLUFF-BALL to SEAL-CoMFA with a Large Diverse Estrogen Data Set: From Relevant Superpositions to Solid Predictions
ChemCalc: A Building Block for Tomorrow's Chemical Infrastructure
Evaluation and Prediction of Stereoisomerizations in Comprehensive Two-Dimensional Chromatography
Correlation of Boiling Points with Molecular Structure for Chlorofluoroethanes
Simulation of 2D NMR Spectra of Carbohydrates Using GODESS Software
Live Analysis and Reconstruction of Single-Particle Cryo-Electron Microscopy Data with CryoFLARE
Prediction of Maximum Absorption Wavelength Using Deep Neural Networks
RTK_RAG: Leveraging Retrieval Augmented Generation with Multi-Window Convolutional Neural Networks for Superior ATP Binding Site Prediction in Receptor Tyrosine Kinases
AlphaFold2 in Molecular Discovery
Multilabeled Classification Approach To Find a Plant Source for Terpenoids
Editorial - A National Library Network
Results of a New Classification Algorithm Combining K Nearest Neighbors and Recursive Partitioning
Topological Atomic Charges, Valencies, and Bond Orders
Understanding the Molecular Determinant of Reversible Human Monoamine Oxidase B Inhibitors Containing 2 H -Chromen-2-One Core: Structure-Based and Ligand-Based Derived Three-Dimensional Quantitative Structure-Activity Relationships Predictive Models
Structure-Activity Relationship Studies of Carcinogenic Activity of Polycyclic Aromatic Hydrocarbons Using Calculated Molecular Descriptors with Principal Component Analysis and Neural Network Methods
AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis
Novel Lennard-Jones Parameters for Cysteine and Selenocysteine in the AMBER Force Field
State Ensemble Energy Recognition (SEER): A Hybrid Gas-Phase Molecular Charge State Predictor
Development and Validation of Molecular Overlays Derived from Three-Dimensional Hydrophobic Similarity with PharmScreen
Exploring Aromatic Cage Flexibility Using Cosolvent Molecular Dynamics Simulations─An In-Silico Case Study of Tudor Domains
P-glycoprotein Substrate Models Using Support Vector Machines Based on a Comprehensive Data set
Syracuse Research Corporation's Environmental Fate Data Bases
De Novo Direct Inverse QSPR/QSAR: Chemical Variational Autoencoder and Gaussian Mixture Regression Models
All-Atom Simulations Reveal a Key Interaction Network in the HLA-E/NKG2A/CD94 Immune Complex Fine-Tuned by the Nonameric Peptide
A New Approach for Drug Target and Bioactivity Prediction: The Multifingerprint Similarity Search Algorithm (MuSSeL)
In Silico Prediction of Aqueous Solubility: The Solubility Challenge
Chemical supply catalog indexing: now and the future. An ideal place for use of the Wiswesser line notation
Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography
Machine Learning-Assisted Rapid Screening of Four Types of New Psychoactive Substances in Drug Seizures
On the Parametrization of the Toxicity of Organic Chemicals to Tetrahymena pyriformis. The Problem of Establishing a Uniform Activity
ACS committee on nomenclature: annual report for 1983
Self-Assembly of Phosphocholine Derivatives Using the ELBA Coarse-Grained Model: Micelles, Bicelles, and Reverse Micelles
Chemometric Approach in Quantification of Structural Identity/Similarity of Proteins in Biopharmaceuticals
Comparison of Linear and Nonlinear Classification Algorithms for the Prediction of Drug and Chemical Metabolism by Human UDP-Glucuronosyltransferase Isoforms
Construction of Functional Group Reactivity Database under Various Reaction Conditions Automatically Extracted from Reaction Database in a Synthesis Design System
Flexible Docking of Ligands into Synthetic Receptors Using a Two-Sided Incremental Construction Algorithm
Leveraging Transfer Learning for Predicting Protein-Small-Molecule Interaction Predictions
Leveraging QM/MM and Molecular Dynamics Simulations to Decipher the Reaction Mechanism of the Cas9 HNH Domain to Investigate Off-Target Effects
DHFR Mutants Modulate Their Synchronized Dynamics with the Substrate by Shifting Hydrogen Bond Occupancies
Applications of MMPBSA to Membrane Proteins I: Efficient Numerical Solutions of Periodic Poisson-Boltzmann Equation
PBSA_E: A PBSA-Based Free Energy Estimator for Protein-Ligand Binding Affinity
FragRep: A Web Server for Structure-Based Drug Design by Fragment Replacement
Predicting Multiple Ligand Binding Modes Using Self-Consistent Pharmacophore Hypotheses
GalaxyWater-CNN: Prediction of Water Positions on the Protein Structure by a 3D-Convolutional Neural Network
Unveiling Metastable Ensembles of GRB2 and the Relevance of Interdomain Communication during Folding
Discovery of Novel and Selective Adenosine A 2A Receptor Antagonists for Treating Parkinson's Disease through Comparative Structure-Based Virtual Screening
Overall Connectivities/Topological Complexities: A New Powerful Tool for QSPR/QSAR
UNICON: A Powerful and Easy-to-Use Compound Library Converter
GlycoTorch Vina: Docking Designed and Tested for Glycosaminoglycans
Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics
Pharmacophore Mapping of Selective Binding Affinity of Estrogen Modulators through Classical and Space Modeling Approaches: Exploration of Bridged-Cyclic Compounds with Diarylethylene Linkage
Coarse-Grained Diffraction Template Matching Model to Retrieve Multiconformational Models for Biomolecule Structures from Noisy Diffraction Patterns
Improving the Use of Ranking in Virtual Screening against HIV-1 Integrase with Triangular Numbers and Including Ligand Profiling with Antitargets
MolTaut: A Tool for the Rapid Generation of Favorable Tautomer in Aqueous Solution
Integrative Approach to Dissect the Drug Resistance Mechanism of the H172Y Mutation of SARS-CoV-2 Main Protease
Coupling of Zinc-Binding and Secondary Structure in Nonfibrillar Aβ40 Peptide Oligomerization
Unsupervised Classification of G-Protein Coupled Receptors and Their Conformational States Using IChem Intramolecular Interaction Patterns
Accelerated Hydration Site Localization and Thermodynamic Profiling
Steepest-Entropy-Ascent Framework for Predicting Arsenic Adsorption on Graphene Oxide Surfaces: A Case Study
To Improve Protein Sequence Profile Prediction through Image Captioning on Pairwise Residue Distance Map
Large-Scale Molecular Dynamics Simulation Based on Heterogeneous Many-Core Architecture
Engineering Antimicrobial Peptides with Improved Antimicrobial and Hemolytic Activities
Mesoscopic Simulation for the Effect of Cross-Linking Reactions on the Drug Diffusion Properties in Microneedles
A QSAR Study of the Antimalarial Activity of Some Synthetic 1, 2, 4-Trioxanes
Prediction of Noninteractive Mixture Toxicity of Organic Compounds Based on a Fuzzy Set Method
Molecular Docking and Pharmacophore Filtering in the Discovery of Dual-Inhibitors for Human Leukotriene A4 Hydrolase and Leukotriene C4 Synthase
Application of Shape Similarity in Pose Selection and Virtual Screening in CSARdock2014 Exercise
Hydrotropic Action of Cationic Hydrotrope p-Toluidinium Chloride on the Solubility of Sparingly Soluble Gliclazide Drug Molecule: A Computational Study
Novel Methods for Prioritizing "Close-In" Analogs from Structure-Activity Relationship Matrices
Testing Physical Models of Passive Membrane Permeation
Neural Network Correction of PM3-Predicted Infrared Spectra
Design of Inhibitors of the MurF Enzyme of Streptococcus pneumoniae Using Docking, 3D-QSAR, and de Novo Design
Similarity by Compression
E-State Modeling of HIV-1 Protease Inhibitor Binding Independent of 3D Information
Noise Reduction Method for Molecular Interaction Energy: Application to in Silico Drug Screening and in Silico Target Protein Screening
The Aldrich Catalog on CD-ROM
A method for early discovery of poisoning in catalytic chemical processes
Classifying Substrate Specificities of Membrane Transporters from Arabidopsis thaliana
Molecular Mechanism Regarding Allosteric Modulation of Ligand Binding and the Impact of Mutations on Dimerization for CCR5 Homodimer
Navigating Phase Transitions with Path-Finding Algorithms: A Strategic Approach to Replica Exchange Monte Carlo
Partial Orderings in Chemistry
Dual Space Approach to the Classification of Toroidal Carbon Nanotubes
Compound Set Enrichment: A Novel Approach to Analysis of Primary HTS Data
Deciphering the Coevolutionary Dynamics of L2 β-Lactamases via Deep Learning
SIMIPS: secondary ion mass image processing system
Review of Bio-Rad MacReader ELISA reader software
Curation and Analysis of Multitargeting Agents for Polypharmacological Modeling
Accelerated Conformational Entropy Calculations Using Graphic Processing Units
QSAR Modeling of ToxCast Assays Relevant to the Molecular Initiating Events of AOPs Leading to Hepatic Steatosis
CavVis - A Field-of-View Geometric Algorithm for Protein Cavity Detection
MTD-PLS: A PLS Variant of the Minimal Topologic Difference Method. III. Mapping Interactions between Estradiol Derivatives and the Alpha Estrogenic Receptor
Improved Prediction of Ligand-Protein Binding Affinities by Meta-modeling
Stereospecific Inhibition of Ethanol Potentiation on Glycine Receptor by M554 Stereoisomers
Lessons Learned from Molecular Scaffold Analysis
Combinatorial Library Design Using a Multiobjective Genetic Algorithm
Receptor Occupancy on an Ellipsoidal Cell in the Presence of a Point Source of a Chemoattractant
Structural Insights into the Molecular Basis of the Ligand Promiscuity
Automated Building of Organometallic Complexes from 3D Fragments
The Proximal Lilly Collection: Mapping, Exploring and Exploiting Feasible Chemical Space
Structure-Based Identification of Non-covalent Prolyl Oligopeptidase 80 Inhibitors Targeting Trypanosoma cruzi Cell Entry
Fragment Shuffling: An Automated Workflow for Three-Dimensional Fragment-Based Ligand Design
Including Tightly-Bound Water Molecules in de Novo Drug Design. Exemplification through the in Silico Generation of Poly(ADP-ribose)polymerase Ligands
ePharmaLib: A Versatile Library of e-Pharmacophores to Address Small-Molecule (Poly-)Pharmacology
Benchmarking Cofolding Methods for Molecular Glue Ternary Structure Prediction
Computationally Identified Novel Diphenyl- and Phenylpyridine Androgen Receptor Antagonist Structures
Overcoming the Heuristic Nature of k-Means Clustering: Identification and Characterization of Binding Modes from Simulations of Molecular Recognition Complexes
Utilizing Dual-Channel Graph and Hypergraph Convolution Network to Discover Microbes Underlying Disease Traits
Vapor pressure data of simple organic substances: their availability and reliability
Estimation of p K a for Druglike Compounds Using Semiempirical and Information-Based Descriptors
Sparse Topological Pharmacophore Graphs for Interpretable Scaffold Hopping
Evaluation of relocation clustering algorithms for the automatic classification of chemical structures
Docking of Hydroxamic Acids into HDAC1 and HDAC8: A Rationalization of Activity Trends and Selectivities
Redesigning the Materials and Catalysts Database Construction Process Using Ontologies
Simulated Infrared Spectra of Ho(III) and Gd(III) Chlorides and Carboxylate Complexes Using Effective Core Potentials in GAMESS
Wavelet Neural Network and Its Application to the Inclusion of -Cyclodextrin with Benzene Derivatives
CODD-Pred: A Web Server for Efficient Target Identification and Bioactivity Prediction of Small Molecules
Computational Discovery and Experimental Confirmation of TLR9 Receptor Antagonist Leads
Machine Learning Model Analysis and Data Visualization with Small Molecules Tested in a Mouse Model of Mycobacterium tuberculosis Infection (2014-2015)
Topology of the Interactions Pattern in Pharmaceutically Relevant Polymorphs of Methylxanthines (Caffeine, Theobromine, and Theophiline): Combined Experimental ( 1 H- 14 N Nuclear Quadrupole Double Resonance) and Computational (DFT and Hirshfeld-Based) Study
Scaffold Hopping by Fragment Replacement
Estimation of Ligand Efficacies of Metabotropic Glutamate Receptors from Conformational Forces Obtained from Molecular Dynamics Simulations
Nonlinear Scoring Functions for Similarity-Based Ligand Docking and Binding Affinity Prediction
Importance of the Pharmacological Profile of the Bound Ligand in Enrichment on Nuclear Receptors: Toward the Use of Experimentally Validated Decoy Ligands
Establishing a Framework of Using Residue-Residue Interactions in Protein Difference Network Analysis
On-Line Storage and Retrieval of Chemical Information. II. Substructure and Biological Activity Searching
Molecules-in-Molecule Estimation of the Extent of Localization of Kekuléan Substructures in Polycyclic Aromatic Hydrocarbons
PROST: AlphaFold2-aware Sequence-Based Predictor to Estimate Protein Stability Changes upon Missense Mutations
DARC topological descriptors for pattern recognition in molecular database management systems and design
Eliminating the Deadwood: A Machine Learning Model for CCS Knowledge-Based Conformational Focusing for Lipids
Fuzz Testing Molecular Representation Using Deep Variational Anomaly Generation
Molecular Basis of the Substrate Specificity of Phosphotriesterase from Pseudomonas diminuta : A Combined QM/MM MD and Electron Density Study
Evaluation of Several Two-Step Scoring Functions Based on Linear Interaction Energy, Effective Ligand Size, and Empirical Pair Potentials for Prediction of Protein-Ligand Binding Geometry and Free Energy
Weighted Averaging Scheme and Local Atomic Descriptor for pKa Prediction Based on Density Functional Theory
Molecular Simulations of Aromatase Reveal New Insights Into the Mechanism of Ligand Binding
A note of measures on screening effectiveness in chemical substructure searching
Prediction of New Bioactive Molecules using a Bayesian Belief Network
Topological Indices Based on Vertex, Distance, and Ring: On the Boiling Points of Paraffins and Cycloalkanes
The Influence of Variations of Ligand Protonation and Tautomerism on Protein-Ligand Recognition and Binding Energy Landscape
Substituted Oligosaccharides as Protein Mimics: Deep Learning Free Energy Landscapes
Fighting Antimicrobial Resistance: Insights on How the Staphylococcus aureus NorA Efflux Pump Recognizes 2-Phenylquinoline Inhibitors by Supervised Molecular Dynamics (SuMD) and Molecular Docking Simulations
The NCI Drug Information System. 1. System overview
Coarse-Grained Model of Glycosaminoglycans
Numerical Data Retrieval in the U.S. and Abroad
Novel Inhibitor Discovery through Virtual Screening against Multiple Protein Conformations Generated via Ligand-Directed Modeling: A Maternal Embryonic Leucine Zipper Kinase Example
IUCLID: A Database on Chemical Substances Information as a Tool for the EU-Risk-Assessment Program
Can Molecular Dynamics and QM/MM Solve the Penicillin Binding Protein Protonation Puzzle?
The COMPAS Project: A Computational Database of Polycyclic Aromatic Systems. Phase 1: cata -Condensed Polybenzenoid Hydrocarbons
Correction to Maximum Likelihood Calibration of the UNRES Force Field for Simulation of Protein Structure and Dynamics
Automation Technologies for Genome Characterization Edited by Tony J. Beugelsdijk. Wiley-Interscience: New York, 1997, 306 pp. ISBN 0-471-12806-6
Tyrosine Regulates β-Sheet Structure Formation in Amyloid-β 42 : A New Clustering Algorithm for Disordered Proteins
Convolutional Neural Networks for the Design and Analysis of Non-Fullerene Acceptors
Low-Mode Conformational Search Method with Semiempirical Quantum Mechanical Calculations: Application to Enantioselective Organocatalysis
EChem++ An Object-Oriented Problem Solving Environment for Electrochemistry, 2. The Kinetic Facilities of EccoA Compiler for (Electro-)Chemistry [ J. Chem. Inf. Comput. Sci 44 , 2051-2060 (2004)]
3D QSAR Methods: Phase and Catalyst Compared
Rational Design of Nonbonded Point Charge Models for Highly Charged Metal Cations with Lennard-Jones 12-6 Potential
Enumeration Approach to Atom-to-Atom Mapping Accelerated by Ising Computing
Prediction of Molecular Electronic Transitions Using Random Forests
Discovery and Characterization of Uracil Derivatives Targeting the Set-and-Ring Domain of UHRF1
Application of Neural Networks to Modeling and Estimating Temperature-Dependent Liquid Viscosity of Organic Compounds
Versatile Framework for Drug-Target Interaction Prediction by Considering Domain-Specific Features
A New Approach to Near-Infrared Spectral Data Analysis Using Independent Component Analysis
Influence of Wobbling Tryptophan and Mutations on PET Degradation Explored by QM/MM Free Energy Calculations
Quantifying the Fingerprint Descriptor Dependence of Structure-Activity Relationship Information on a Large Scale
Structural Insights into Characterizing Binding Sites in Epidermal Growth Factor Receptor Kinase Mutants
Esterase Sequence Composition Patterns for the Identification of Catalytic Triad Microenvironment Motifs
Generative Modeling to Predict Multiple Suitable Conditions for Chemical Reactions
An Additive Definition of Molecular Complexity
Correlating Protein Hot Spot Surface Analysis Using ProBiS with Simulated Free Energies of Protein-Protein Interfacial Residues
Knowledge based method for building molecular models
Molecular Dynamics Simulation and Site-Directed Mutagenesis of Alcohol Acyltransferase: A Proposed Mechanism of Catalysis
Aromaticity of Carbon Nanotubes
Substructure Searching of Computer-Readable Chemical Abstracts Service Ninth Collective Index Chemical Nomenclature Files
Computer-assisted structure generation from a gross formula. 6. Reducing the structural redundancy by the employment of 2D NMR spectral information
MED-SuMoLig: A New Ligand-Based Screening Tool for Efficient Scaffold Hopping
PACKMOL-Memgen: A Simple-To-Use, Generalized Workflow for Membrane-Protein-Lipid-Bilayer System Building
Homology Modeling and Docking Evaluation of Aminergic G Protein-Coupled Receptors
Adaptive Lambda Scheduling: A Method for Computational Efficiency in Free Energy Perturbation Simulations
Ranking Single Fluorescent Protein-Based Calcium Biosensor Performance by Molecular Dynamics Simulations
Identification of Potent and Selective CYP1A1 Inhibitors via Combined Ligand and Structure-Based Virtual Screening and Their in Vitro Validation in Sacchrosomes and Live Human Cells
Comparing Molecular Patterns Using the Example of SMARTS: Theory and Algorithms
A Simple Clustering Technique To Improve QSAR Model Selection and Predictivity: Application to a Receptor Independent 4D-QSAR Analysis of Cyclic Urea Derived Inhibitors of HIV-1 Protease
The SistematX Web Portal of Natural Products: An Update
Orientation and Nomenclature of Multiple Radicals in Comb, Star, and Other Polymers with Multichain End Groups
PHOENIX: A Scoring Function for Affinity Prediction Derived Using High-Resolution Crystal Structures and Calorimetry Measurements
Combining Bayesian and Evidential Uncertainty Quantification for Improved Bioactivity Modeling
Improved Machine Learning Models for Predicting Selective Compounds
Improving the Accuracy of an Affinity Prediction Method by Using Statistics on Shape Complementarity between Proteins
Intercalation Ability of Novel Monofunctional Platinum Anticancer Drugs: A Key Step in Their Biological Action
Fatty Alcohol Membrane Model for Quantifying and Predicting Amphiphilicity
Isomerization of Free Base Porphyrin. Theoretical Study
SGTPy: A Python Code for Calculating the Interfacial Properties of Fluids Based on the Square Gradient Theory Using the SAFT-VR Mie Equation of State
DiffInt: A Diffusion Model for Structure-Based Drug Design with Explicit Hydrogen Bond Interaction Guidance
Detailed Investigation of the Outstanding Peroxyl Radical Scavenging Activity of Two Novel Amino-Pyridinol-Based Compounds
Computational Structure Activity Relationship Studies on the CD1d/Glycolipid/TCR Complex Using AMBER and AUTODOCK
A Comparative Study of Topological and Geometrical Parameters in Estimating Normal Boiling Point and Octanol/Water Partition Coefficient
In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing
Computer storage and retrieval of generic chemical structures in patents, 3. Chemical grammars and their role in the manipulation of chemical structures
Clar Polynomials of Large Benzenoid Systems
Kinematic Flexibility Analysis: Hydrogen Bonding Patterns Impart a Spatial Hierarchy of Protein Motion
Alchemy 2000 Version 1.00 for Windows: A Review
Novel Combination Therapy for Heart Failure: Trimebutine-Methoxsalen Identified through Synergistic Network Virtual Screening and Experimental Validation
Classification of Cytochrome P450 Inhibitors with Respect to Binding Free Energy and pIC 50 Using Common Molecular Descriptors
MARS: Computing Three-Dimensional Alignments for Multiple Ligands Using Pairwise Similarities
sc-PDB: an Annotated Database of Druggable Binding Sites from the Protein Data Bank
Computer Design of Synthesis in Phosphorus Chemistry: Automatic Treatment of Stereochemistry
Chemical Abstracts Service Chemical Registry System. 10. Registration of substances from pre-1965 indexes of Chemical Abstracts
Design and Development of Chemical Ontologies for Reaction Representation
Dimerization and Structural Stability of Amyloid Precursor Proteins Affected by the Membrane Microenvironments
Conduction and Gating Properties of the TRAAK Channel from Molecular Dynamics Simulations with Different Force Fields
Alternative to Consensus ScoringA New Approach Toward the Qualitative Combination of Docking Algorithms
Relating Essential Proteins to Drug Side-Effects Using Canonical Component Analysis: A Structure-Based Approach
Structure-Based Design of Small Peptide Ligands to Inhibit Early-Stage Protein Aggregation Nucleation
Molecular Dynamics Simulation of the Heterodimeric mGluR2/5HT 2A Complex. An Atomistic Resolution Study of a Potential New Target in Psychiatric Conditions
A QSPR Study of the p Solute Polarity Parameter to Estimate Retention in HPLC
Theoretical Design of D-π-A-A Sensitizers with Narrow Band Gap and Broad Spectral Response Based on Boron Dipyrromethene for Dye-Sensitized Solar Cells
Antioxidant Efficiency of Oxovitisin, a New Class of Red Wine Pyranoanthocyanins, Revealed through Quantum Mechanical Investigations
A Multivariate Approach to Investigate Docking Parameters' Effects on Docking Performance
Investigation of the Differences in Activity between Hydroxycycloalkyl N1 Substituted Pyrazole Derivatives As Inhibitors of B-Raf Kinase by Using Docking, Molecular Dynamics, QM/MM, and Fragment-Based De Novo Design: Study of Binding Mode of Diastereomer Compounds
On Entropy-Based Molecular Descriptors: Statistical Analysis of Real and Synthetic Chemical Structures
Analysis of Terminology in Various CAS Data Files as Access Points for Retrieval
Propagation of Conformational Coordinates Across Angular Space in Mapping the Continuum of States from Cryo-EM Data by Manifold Embedding