On the public citation graph

Automated molecular design: A new fragment-joining algorithm

0 signed · 59 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.

Claim with ORCID

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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.

See reference health

What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/bip.360261207openalex-snapshot

Predicting antibody hypervariable loop conformation. I. Ensembles of random conformations for ringlike structures

inferredcites →https://doi.org/10.1002/jcc.540111012openalex-snapshot

Automated conformational analysis: Directed conformational search using the A* algorithm

inferredcites →https://doi.org/10.1002/jcc.540141008openalex-snapshot

CONCEPTS: New dynamic algorithm for de novo drug suggestion

inferredcites →https://doi.org/10.1002/jcc.540150213openalex-snapshot

A ring‐bracing approach to computer‐assisted ligand design

inferredcites →https://doi.org/10.1002/prot.340010408openalex-snapshot

Predicting antibody hypervariable loop conformations II: Minimization and molecular dynamics studies of MCPC603 from many randomly generated loop conformations

inferredcites →https://doi.org/10.1002/prot.340110104openalex-snapshot

Functionality maps of binding sites: A multiple copy simultaneous search method

inferredcites →https://doi.org/10.1002/prot.340110409openalex-snapshot

Computer design of bioactive molecules: A method for receptor‐based de novo ligand design

inferredcites →https://doi.org/10.1007/bf00125319openalex-snapshot

Automated site-directed drug design: Approaches to the formation of 3D molecular graphs

inferredcites →https://doi.org/10.1007/bf00125322openalex-snapshot

SPLICE: A program to assemble partial query solutions from three-dimensional database searches into novel ligands

inferredcites →https://doi.org/10.1007/bf00126217openalex-snapshot

LUDI: rule-based automatic design of new substituents for enzyme inhibitor leads

inferredcites →https://doi.org/10.1007/bf00126441openalex-snapshot

SPROUT: A program for structure generation

inferredcites →https://doi.org/10.1007/bf00141573openalex-snapshot

GenStar: A method for de novo drug design

inferredcites →https://doi.org/10.1007/bf01590992openalex-snapshot

Constrained search of conformational hyperspace

inferredcites →https://doi.org/10.1007/bf01680558openalex-snapshot

WIZARD: AI in conformational analysis

inferredcites →https://doi.org/10.1016/0022-2836(82)90452-1openalex-snapshot

Crystallographic refinement and atomic models of two different forms of citrate synthase at 2·7 and 1·7 Å resolution

inferredcites →https://doi.org/10.1016/0263-7855(88)80054-7openalex-snapshot

The MIDAS display system

inferredcites →https://doi.org/10.1016/0263-7855(92)80047-hopenalex-snapshot

Automated site-directed drug design: a method for the generation of general three-dimensional molecular graphs

inferredcites →https://doi.org/10.1016/0263-7855(92)80059-mopenalex-snapshot

Automated site-directed drug design using molecular lattices

inferredcites →https://doi.org/10.1016/0266-9838(87)90010-4openalex-snapshot

Cluster analysis for researchers

inferredcites →https://doi.org/10.1021/ja00018a047openalex-snapshot

Toward the semiquantitative estimation of binding constants. Guides for peptide-peptide binding in aqueous solution

inferredcites →https://doi.org/10.1021/jm00064a003openalex-snapshot

GroupBuild: a fragment-based method for de novo drug design

inferredcites →https://doi.org/10.1021/jm00072a011openalex-snapshot

Confirmation of usefulness of a structure construction program based on three-dimensional receptor structure for rational lead generation

inferredcites →https://doi.org/10.1021/jm00090a001openalex-snapshot

3D database searching in drug design

inferredcites →https://doi.org/10.1021/jm00145a002openalex-snapshot

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

inferredcites →https://doi.org/10.1021/ma00154a069openalex-snapshot

Chain closure with bond angle variations

inferredcites →https://doi.org/10.1021/ma60014a012openalex-snapshot

Ring Closure and Local Conformational Deformations of Chain Molecules

inferredcites →https://doi.org/10.1039/p298700000s1openalex-snapshot

Tables of bond lengths determined by X-ray and neutron diffraction. Part 1. Bond lengths in organic compounds

inferredcites →https://doi.org/10.1098/rspb.1989.0017openalex-snapshot

Automated site-directed drug design: the concept of spacer skeletons for primary structure generation

inferredcites →https://doi.org/10.1098/rspb.1989.0018openalex-snapshot

Automated site-directed drug design : the formation of molecular templates in primary structure generation

inferredcites →https://doi.org/10.1126/science.257.5073.1078openalex-snapshot

Structure-Based Strategies for Drug Design and Discovery

inferredcites →https://doi.org/10.2307/2286880openalex-snapshot

Clustering Algorithms.

inferredcites →https://doi.org/10.2307/3151374openalex-snapshot

Cluster Analysis for Researchers

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/(sici)1097-0134(20000801)40:2<258::aid-prot80>3.0.co;2-iopenalex-snapshot

Dynamic ligand design and combinatorial optimization: Designing inhibitors to endothiapepsin

inferred← citeshttps://doi.org/10.1002/9780470125885.ch2openalex-snapshot

Current Issues in De Novo Molecular Design

inferred← citeshttps://doi.org/10.1002/9783527619368.ch16openalex-snapshot

Docking and Scoring for Structure‐based Drug Design

inferred← citeshttps://doi.org/10.1002/cmdc.200500102openalex-snapshot

FlexNovo : Structure‐Based Searching in Large Fragment Spaces

inferred← citeshttps://doi.org/10.1002/prot.340230403openalex-snapshot

An automated method for dynamic ligand design

inferred← citeshttps://doi.org/10.1007/978-0-387-73715-7_5openalex-snapshot

Computer-Aided Design of Organic Host Architectures for Selective Chemosensors

inferred← citeshttps://doi.org/10.1007/978-3-662-03141-4_10openalex-snapshot

The Role of Structure-Based Ligand Design in Industrial Pharmaceutical Research

inferred← citeshttps://doi.org/10.1007/bf00117275openalex-snapshot

PRO_LIGAND: An approach to de novo molecular design. 1. Application to the design of organic molecules

inferred← citeshttps://doi.org/10.1007/bf00123996openalex-snapshot

PRO_LIGAND: An approach to de novo molecular design. 6. Flexible fitting in the design of peptides

inferred← citeshttps://doi.org/10.1007/bf00124404openalex-snapshot

PRO_LIGAND: An approach to de novo molecular design. 3. A genetic algorithm for structure refinement

inferred← citeshttps://doi.org/10.1007/bf00124453openalex-snapshot

PRO_LIGAND: An approach to de novo molecular design. 4. Application to the design of peptides

inferred← citeshttps://doi.org/10.1007/bf00124457openalex-snapshot

BUILDER v.2: Improving the chemistry of a de novo design strategy

inferred← citeshttps://doi.org/10.1007/bf00125381openalex-snapshot

Current methods for site-directed structure generation

inferred← citeshttps://doi.org/10.1007/bf00579706openalex-snapshot

The role of structure-based ligand design and molecular modelling in drug discovery

inferred← citeshttps://doi.org/10.1007/s10822-007-9157-4openalex-snapshot

The concept of template-based de novo design from drug-derived molecular fragments and its application to TAR RNA

inferred← citeshttps://doi.org/10.1007/s10822-011-9519-9openalex-snapshot

Drug design for ever, from hype to hope

inferred← citeshttps://doi.org/10.1016/0040-4020(95)00467-mopenalex-snapshot

Combinatorial synthesis — the design of compound libraries and their application to drug discovery

inferred← citeshttps://doi.org/10.1016/0301-4622(95)00120-4openalex-snapshot

New approaches in molecular structure prediction

inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00255-8openalex-snapshot

De Novo Design

inferred← citeshttps://doi.org/10.1016/s1093-3263(00)00062-0openalex-snapshot

Synergy between combinatorial chemistry and de novo design

inferred← citeshttps://doi.org/10.1016/s1460-1567(98)80028-7openalex-snapshot

Chapter 1 Introduction, Basic Concepts and Strategies

inferred← citeshttps://doi.org/10.1021/ci950277wopenalex-snapshot

RASSE: A New Method for Structure-Based Drug Design

inferred← citeshttps://doi.org/10.1021/ic0202920openalex-snapshot

HostDesigner: A Program for the de Novo Structure-Based Design of Molecular Receptors with Binding Sites that Complement Metal Ion Guests

inferred← citeshttps://doi.org/10.1023/a:1008042711516openalex-snapshot

Evaluation of a method for controlling molecular scaffold diversity in de novo ligand design

inferred← citeshttps://doi.org/10.1023/a:1008094712424openalex-snapshot

PRO_SELECT: Combining structure-based drug design and combinatorial chemistry for rapid lead discovery. 1. Technology

inferred← citeshttps://doi.org/10.1039/c0cs00075bopenalex-snapshot

De novo structure-based design of anion receptors

inferred← citeshttps://doi.org/10.1039/c2cc37776dopenalex-snapshot

Structural design principles for self-assembled coordination polygons and polyhedra

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.