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Computational Approaches to Drug Design
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/(sici)1097-0134(199607)25:3<342::aid-prot6>3.0.co;2-hopenalex-snapshot
Exploring the energy landscapes of molecular recognition by a genetic algorithm: Analysis of the requirements for robust docking of HIV-1 protease and FKBP-12 complexes
inferredcites →https://doi.org/10.1002/9780470125786.ch9openalex-snapshot
Aspects of Molecular Modeling
inferredcites →https://doi.org/10.1002/9780470125823.ch7openalex-snapshot
A Perspective of Modern Methods in Computer‐Aided Drugc design
inferredcites →https://doi.org/10.1002/9783527616091.ch13openalex-snapshot
Structure Correlation and Ligand/Receptor Interactions
inferredcites →https://doi.org/10.1002/jcc.540050105openalex-snapshot
A combinatorial algorithm for calculating ligand binding
inferredcites →https://doi.org/10.1002/jcc.540090409openalex-snapshot
The multiple minimum problem in molecular modeling. Tree searching internal coordinate conformational space
inferredcites →https://doi.org/10.1002/jcc.540120314openalex-snapshot
Algorithms for calculating excluded volume and its derivatives as a function of molecular conformation and their use in energy minimization
inferredcites →https://doi.org/10.1002/jcc.540120712openalex-snapshot
A vectorized algorithm for calculating the accessible surface area of macromolecules
inferredcites →https://doi.org/10.1002/jcc.540130213openalex-snapshot
Probing the conformational space available to inhibitors in the thermolysin active site using Monte Carlo/energy minimization techniques
inferredcites →https://doi.org/10.1002/jcc.540130311openalex-snapshot
Molecular docking using shape descriptors
inferredcites →https://doi.org/10.1002/jcc.540130608openalex-snapshot
Conformational analysis of flexible ligands in macromolecular receptor sites
inferredcites →https://doi.org/10.1002/jcc.540140907openalex-snapshot
Conformational searching methods for small molecules. I. Study of the sybyl search method
inferredcites →https://doi.org/10.1002/jcc.540160205openalex-snapshot
Poling: Promoting conformational variation
inferredcites →https://doi.org/10.1002/jmr.300080503openalex-snapshot
Searching for pharmacophoric patterns in databases of three‐dimensional chemical structures
inferredcites →https://doi.org/10.1002/med.2610130305openalex-snapshot
Peptidomimetics derived from natural products
inferredcites →https://doi.org/10.1002/prot.340120105openalex-snapshot
CLIX: A search algorithm for finding novel ligands capable of binding proteins of known three‐dimensional structure
inferredcites →https://doi.org/10.1002/prot.340170305openalex-snapshot
Orientational sampling and rigid‐body minimization in molecular docking
inferredcites →https://doi.org/10.1006/jmbi.1995.0351openalex-snapshot
The Volume of Atoms on the Protein Surface: Calculated from Simulation, using Voronoi Polyhedra
inferredcites →https://doi.org/10.1006/jmbi.1996.0077openalex-snapshot
The Automatic Search for Ligand Binding Sites in Proteins of Known Three-dimensional Structure Using only Geometric Criteria
inferredcites →https://doi.org/10.1006/jmbi.1996.0776openalex-snapshot
Molecular docking to ensembles of protein structures 1 1Edited by B. Honig
inferredcites →https://doi.org/10.1006/jmbi.1996.0897openalex-snapshot
Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
inferredcites →https://doi.org/10.1007/3-540-56024-6_11openalex-snapshot
3-D substructure matching in protein Molecules
inferredcites →https://doi.org/10.1007/3-540-58325-4_205openalex-snapshot
On the approximation of largest common subtrees and largest common point sets
inferredcites →https://doi.org/10.1007/bf00119865openalex-snapshot
FLOG: A system to select ?quasi-flexible? ligands complementary to a receptor of known three-dimensional structure
inferredcites →https://doi.org/10.1007/bf00123666openalex-snapshot
Flexibases: A way to enhance the use of molecular docking methods
inferredcites →https://doi.org/10.1007/bf00123667openalex-snapshot
A fast and efficient method to generate biologically relevant conformations
inferredcites →https://doi.org/10.1007/bf00124324openalex-snapshot
A genetic algorithm for flexible molecular overlay and pharmacophore elucidation
inferredcites →https://doi.org/10.1007/bf00124350openalex-snapshot
Novel algorithms for searching conformational space
inferredcites →https://doi.org/10.1007/bf00124402openalex-snapshot
Flexible ligand docking using a genetic algorithm
inferredcites →https://doi.org/10.1007/bf00126442openalex-snapshot
An exploration of a novel strategy for superposing several flexible molecules
inferredcites →https://doi.org/10.1007/bf00126743openalex-snapshot
The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure
inferredcites →https://doi.org/10.1007/bf00141577openalex-snapshot
A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists
inferredcites →https://doi.org/10.1007/bf01533070openalex-snapshot
ALADDIN: An integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures
inferredcites →https://doi.org/10.1007/bf02174531openalex-snapshot
A good ligand is hard to find: Automated docking methods
inferredcites →https://doi.org/10.1007/bfb0014486openalex-snapshot
Geometric manipulation of flexible ligands
inferredcites →https://doi.org/10.1007/pl00009388openalex-snapshot
Distribution of Distances and Triangles in a Point Set and Algorithms for Computing the Largest Common Point Sets
inferredcites →https://doi.org/10.1016/0022-2836(71)90324-xopenalex-snapshot
The interpretation of protein structures: Estimation of static accessibility
inferredcites →https://doi.org/10.1016/0022-2836(74)90570-1openalex-snapshot
The interpretation of protein structures: Total volume, group volume distributions and packing density
inferredcites →https://doi.org/10.1016/0022-2836(91)90859-5openalex-snapshot
“Soft docking”: Matching of molecular surface cubes
inferredcites →https://doi.org/10.1016/0263-7855(93)87010-3openalex-snapshot
The molecular surface package
inferredcites →https://doi.org/10.1016/0304-3975(85)90224-5openalex-snapshot
Clustering to minimize the maximum intercluster distance
inferredcites →https://doi.org/10.1016/0959-440x(93)90208-3openalex-snapshot
Folding proteins: finding a needle in a haystack
inferredcites →https://doi.org/10.1016/0968-0896(95)00031-bopenalex-snapshot
Conformational changes of small molecules binding to proteins
inferredcites →https://doi.org/10.1016/1359-6446(96)10033-7openalex-snapshot
Computer-based screening of compound databases for the identification of novel leads
inferredcites →https://doi.org/10.1016/s0022-2836(77)80200-3openalex-snapshot
The protein data bank: A computer-based archival file for macromolecular structures
inferredcites →https://doi.org/10.1016/s0959-440x(96)80061-3openalex-snapshot
Computational methods for biomolecular docking
inferredcites →https://doi.org/10.1016/s1074-5521(96)90093-9openalex-snapshot
Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites
inferredcites →https://doi.org/10.1021/ci00002a004openalex-snapshot
The development of versions 3 and 4 of the Cambridge Structural Database System
inferredcites →https://doi.org/10.1021/ci00010a024openalex-snapshot
Application of genetic algorithms in the field of constitutional similarity
inferredcites →https://doi.org/10.1021/ci00017a026openalex-snapshot
Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searching
inferredcites →https://doi.org/10.1021/ci00019a028openalex-snapshot
An Algorithm To Directly Identify a Molecule's "Most Different" Conformations
inferredcites →https://doi.org/10.1021/ci00022a012openalex-snapshot
Chemical Function Queries for 3D Database Search
inferredcites →https://doi.org/10.1021/ci00024a019openalex-snapshot
Analysis of Conformational Coverage. 2. Applications of Conformational Models
inferredcites →https://doi.org/10.1021/ci00056a002openalex-snapshot
Algorithms for the identification of three-dimensional maximal common substructures
inferredcites →https://doi.org/10.1021/ci950275bopenalex-snapshot
Chemical Similarity Using Geometric Atom Pair Descriptors
inferredcites →https://doi.org/10.1021/ja00194a035openalex-snapshot
An internal-coordinate Monte Carlo method for searching conformational space
inferredcites →https://doi.org/10.1021/jm00088a002openalex-snapshot
Definition and display of steric, hydrophobic, and hydrogen bonding properties of ligand binding sites in proteins using Lee and Richards accessible surface: validation of a high-resolution graphical tool for drug design
inferredcites →https://doi.org/10.1021/jm00161a004openalex-snapshot
Docking flexible ligands to macromolecular receptors by molecular shape
inferredcites →https://doi.org/10.1021/ma60014a012openalex-snapshot
Ring Closure and Local Conformational Deformations of Chain Molecules
inferredcites →https://doi.org/10.1073/pnas.77.4.1736openalex-snapshot
Analytical approximation to the accessible surface area of proteins
inferredcites →https://doi.org/10.1073/pnas.89.6.2195openalex-snapshot
Molecular surface recognition: determination of geometric fit between proteins and their ligands by correlation techniques.
inferredcites →https://doi.org/10.1080/00268978700102951openalex-snapshot
Exact calculation of the volume and surface area of fused hard-sphere molecules with unequal atomic radii
inferredcites →https://doi.org/10.1093/bioinformatics/11.1.71openalex-snapshot
Conformational analysis of molecular chains using nano-kinematics
inferredcites →https://doi.org/10.1093/protein/5.1.69openalex-snapshot
A robust and efficient automated docking algorithm for molecular recognition
inferredcites →https://doi.org/10.1107/s0021889883009978openalex-snapshot
Calculation of scattering curves for macromolecules in solution and comparison with results of methods using effective atomic scattering factors
inferredcites →https://doi.org/10.1107/s0021889883010985openalex-snapshot
Analytical molecular surface calculation
inferredcites →https://doi.org/10.1109/38.310720openalex-snapshot
Computing smooth molecular surfaces
inferredcites →https://doi.org/10.1109/38.7748openalex-snapshot
Spherical harmonic molecular surfaces
inferredcites →https://doi.org/10.1109/ccv.1988.589995openalex-snapshot
Geometric Hashing: A General And Efficient Model-based Recognition Scheme
inferredcites →https://doi.org/10.1109/hicss.1995.375331openalex-snapshot
Measuring proteins and voids in proteins
inferredcites →https://doi.org/10.1109/istcs.1993.253471openalex-snapshot
Algorithmic research problems in molecular bioinformatics
inferredcites →https://doi.org/10.1145/160985.161139openalex-snapshot
The union of balls and its dual shape
inferredcites →https://doi.org/10.1145/177424.177574openalex-snapshot
Spheres, molecules, and hidden surface removal
inferredcites →https://doi.org/10.1145/258533.258657openalex-snapshot
Incremental clustering and dynamic information retrieval
inferredcites →https://doi.org/10.1145/262839.262955openalex-snapshot
A perturbation scheme for spherical arrangements with application to molecular modeling
inferredcites →https://doi.org/10.1145/267521.267547openalex-snapshot
New contact measures for the protein docking problem
inferredcites →https://doi.org/10.1146/annurev.bb.06.060177.001055openalex-snapshot
AREAS, VOLUMES, PACKING, AND PROTEIN STRUCTURE
inferredcites →https://doi.org/10.1177/027836498400300301openalex-snapshot
Model-Based Recognition and Localization from Sparse Range or Tactile Data
inferredcites →https://doi.org/10.1201/9781439864524-19openalex-snapshot
Dynam ic M aintenance of Kinematic Structures
inferredcites →https://doi.org/10.12681/eadd/4455openalex-snapshot
RANDOM NETWORKS IN CONFIGURATION SPACE FOR FAST PATH PLANNING
inferredcites →https://doi.org/10.2307/2283567openalex-snapshot
Optimization Theory With Applications.
inferredcites →https://doi.org/10.5860/choice.27-0916openalex-snapshot
Distance geometry and molecular conformation
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/0471266949.bmc003openalex-snapshot
Molecular Modeling in Drug Design
inferred← citeshttps://doi.org/10.1002/jcc.20681openalex-snapshot
Ultrafast shape recognition to search compound databases for similar molecular shapes
inferred← citeshttps://doi.org/10.1002/prot.26148openalex-snapshot
A novel measure to analyze protein structures: Aspect ratio in protein alpha shapes
inferred← citeshttps://doi.org/10.1002/qua.20097openalex-snapshot
Symbolic calculation in chemistry: Selected examples
inferred← citeshttps://doi.org/10.1007/978-3-642-02017-9_45openalex-snapshot
Feasibility of Motion Planning on Directed Graphs
inferred← citeshttps://doi.org/10.1007/s42250-020-00213-9openalex-snapshot
Recent Advances in the Chemistry of Bioactive Compounds from Plants and Soil Microbes: a Review
inferred← citeshttps://doi.org/10.1016/b978-0-443-16164-3.00022-4openalex-snapshot
Computational approaches for development of anti-COVID-19 agents
inferred← citeshttps://doi.org/10.1016/j.cmpbup.2025.100208openalex-snapshot
Integrative in Silico modeling for mTOR inhibition: From ridge classifiers to descriptor-free deep neural networks
inferred← citeshttps://doi.org/10.1016/j.dam.2010.02.001openalex-snapshot
Feasibility of motion planning on acyclic and strongly connected directed graphs
inferred← citeshttps://doi.org/10.1016/j.jpdc.2006.10.004openalex-snapshot
Distributed computation of the knn graph for large high-dimensional point sets
inferred← citeshttps://doi.org/10.1016/j.molstruc.2020.128892openalex-snapshot
An empirical and theoretical description of Schistosoma japonicum glutathione transferase inhibition by bromosulfophthalein and indanyloxyacetic acid 94
inferred← citeshttps://doi.org/10.1017/s0033583503003901openalex-snapshot
Prediction of protein function from protein sequence and structure
inferred← citeshttps://doi.org/10.1021/ci0255275openalex-snapshot
An Efficient Implementation of a Drug Candidate Database
inferred← citeshttps://doi.org/10.1080/0026897042000275035openalex-snapshot
Solving polynomial equations for chemical problems using Gröbner bases
inferred← citeshttps://doi.org/10.1089/10665270360688228openalex-snapshot
Understanding Protein Flexibility through Dimensionality Reduction
inferred← citeshttps://doi.org/10.1093/bioinformatics/bti055openalex-snapshot
Improving conformational searches by geometric screening
inferred← citeshttps://doi.org/10.1109/bibm.2015.7359650openalex-snapshot
Structure-guided selection of Specificity Determining Positions in the human kinome
inferred← citeshttps://doi.org/10.1109/icar.2017.8023501openalex-snapshot
Data-driven kinodynamic RRT
inferred← citeshttps://doi.org/10.1109/icecc.2004.1269540openalex-snapshot
New technique to build probabilistic roadmap methods
inferred← citeshttps://doi.org/10.1109/iembs.2002.1053229openalex-snapshot
Approximating solutions of molecular inverse kinematics problems by subdivision
inferred← citeshttps://doi.org/10.1109/iros.1999.813013openalex-snapshot
A probabilistic roadmap planner for flexible objects with a workspace medial-axis-based sampling approach
inferred← citeshttps://doi.org/10.1109/issnip.2004.1417469openalex-snapshot
Probabilistic Road Maps with Obstacle Avoidance in Cluttered Dynamic Environment
inferred← citeshttps://doi.org/10.1109/jbhi.2025.3539710openalex-snapshot
Trans-MoRFs: A Disordered Protein Predictor Based on the Transformer Architecture
inferred← citeshttps://doi.org/10.1109/robot.2000.844795openalex-snapshot
A framework for using the workspace medial axis in PRM planners
inferred← citeshttps://doi.org/10.1109/robot.2002.1014853openalex-snapshot
Generalizing the analysis of PRM
inferred← citeshttps://doi.org/10.1109/robot.2004.1308057openalex-snapshot
Dynamics and kinematics of viral protein linear nano-actuators for bio-nano robotic systems
inferred← citeshttps://doi.org/10.1109/tra.2004.824649openalex-snapshot
Measure theoretic analysis of probabilistic path planning
inferred← citeshttps://doi.org/10.1109/tro.2014.2309836openalex-snapshot
A Selective Retraction-Based RRT Planner for Various Environments
inferred← citeshttps://doi.org/10.1115/1.1900751openalex-snapshot
Kinematics and Workspace Analysis of Protein Based Nano-Actuators
inferred← citeshttps://doi.org/10.1142/9789812704436_0023openalex-snapshot
A MOLECULAR INVERSE KINEMATICS PROBLEM: AN APPROXIMATION APPROACH AND CHALLENGES
inferred← citeshttps://doi.org/10.1142/9789812772053_0004openalex-snapshot
Bioinformatics of Protein Function
inferred← citeshttps://doi.org/10.1145/504729.504753openalex-snapshot
Robotics and interactive simulation
inferred← citeshttps://doi.org/10.1145/565196.565235openalex-snapshot
A dimensionality reduction approach to modeling protein flexibility
inferred← citeshttps://doi.org/10.1145/641239.641241openalex-snapshot
Overcoming the memory wall in symbolic algebra
inferred← citeshttps://doi.org/10.1145/641239.641242openalex-snapshot
Computer algebra in the life sciences
inferred← citeshttps://doi.org/10.11648/j.cbb.20150304.12openalex-snapshot
Novel Computerized Approaches to Investigating Pharmacological Activities
inferred← citeshttps://doi.org/10.1177/0278364911406761openalex-snapshot
Sampling-based algorithms for optimal motion planning
inferred← citeshttps://doi.org/10.1186/1472-6807-13-s1-s11openalex-snapshot
DINC: A new AutoDock-based protocol for docking large ligands
inferred← citeshttps://doi.org/10.1186/s12864-016-2790-3openalex-snapshot
Structure-guided selection of specificity determining positions in the human Kinome
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The anticancer potential of chemical constituents of Moringa oleifera targeting CDK-2 inhibition in estrogen receptor positive breast cancer using in-silico and in vitro approches
inferred← citeshttps://doi.org/10.1371/journal.pone.0068826openalex-snapshot
SIMS: A Hybrid Method for Rapid Conformational Analysis
inferred← citeshttps://doi.org/10.1371/journal.pone.0122787openalex-snapshot
Optimal Ligand Descriptor for Pocket Recognition Based on the Beta-Shape
inferred← citeshttps://doi.org/10.15607/rss.2010.vi.034openalex-snapshot
Incremental Sampling-based Algorithms for Optimal Motion Planning
inferred← citeshttps://doi.org/10.2174/1570163819666220117161308openalex-snapshot
Computational Approach to Combat COVID-19 Infection: Emerging Tools for Accelerating Drug Research
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