Structure-based drug design

scientific article published on 01 August 1998

Structure-based drug design is …
instance of (P31):
review articleQ7318358
scholarly articleQ13442814

External links are
P356DOI10.1016/S0958-1669(98)80009-8
P698PubMed publication ID9720263

P50authorL. Mario AmzelQ28031687
P2093author name stringL Mario Amzel
P2860cites workComparative protein modelling by satisfaction of spatial restraintsQ27860866
Preparation of selenomethionyl proteins for phase determinationQ27860869
The Protein Data Bank: a computer-based archival file for macromolecular structuresQ27860989
Accurate modeling of protein conformation by automatic segment matchingQ28290861
[28] Phase determination from multiwavelength anomalous diffraction measurementsQ30047434
Calculating three-dimensional changes in protein structure due to amino-acid substitutions: the variable region of immunoglobulinsQ30404964
A computational procedure for determining energetically favorable binding sites on biologically important macromoleculesQ30406755
Structure-based drug design: progress, results and challengesQ30419784
Structure-based understanding of ligand affinity using human thrombin as a model systemQ30424298
The computer program LUDI: a new method for the de novo design of enzyme inhibitorsQ33214112
A geometric approach to macromolecule-ligand interactionsQ34280176
ALADDIN: an integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structuresQ34465525
Automated docking of substrates to proteins by simulated annealingQ34640538
Applications of combinatorial technologies to drug discovery. 2. Combinatorial organic synthesis, library screening strategies, and future directionsQ36749967
GroupBuild: a fragment-based method for de novo drug designQ36784871
Design of enzyme inhibitors using iterative protein crystallographic analysisQ37776468
FOUNDATION: a program to retrieve all possible structures containing a user-defined minimum number of matching query elements from three-dimensional databasesQ38565532
A new method for building protein conformations from sequence alignments with homologues of known structureQ39101556
Ligand-protein docking and rational drug design.Q40467213
NMR at very high fieldsQ40704393
Docking small-molecule ligands into active sitesQ40926545
Serendipity meets precision: the integration of structure-based drug design and combinatorial chemistry for efficient drug discoveryQ41398194
'Flu' and structure-based drug designQ41613210
Combinatorial chemistry searching for a winning combinationQ43881364
Empirical free energy as a target function in docking and design: application to HIV-1 protease inhibitors.Q52306807
Estimation of changes in side chain configurational entropy in binding and folding: general methods and application to helix formation.Q52372237
Entropy in biological binding processes: estimation of translational entropy loss.Q52384808
CLIX: A search algorithm for finding novel ligands capable of binding proteins of known three‐dimensional structureQ52434109
Confirmation of usefulness of a structure construction program based on three-dimensional receptor structure for rational lead generation.Q54650033
Automated docking with grid-based energy evaluationQ56005218
Strategy and Tactics in Combinatorial Organic Synthesis. Applications to Drug DiscoveryQ56068732
Critical assessment of methods of protein structure prediction (CASP): Round IIQ56171911
Three-dimensional structure of an angiotensin II-Fab complex at 3 A: hormone recognition by an anti-idiotypic antibodyQ57000528
Structural energetics of peptide recognition: Angiotensin II/antibody bindingQ57206223
Modeling the variable region of immunoglobulinsQ57206228
Overproduction of membrane proteinsQ57668033
Antibody-directed drug discoveryQ59007175
Knowledge based modelling of homologous proteins, Part I: Three-dimensional frameworks derived from the simultaneous superposition of multiple structuresQ68853089
Docking enzyme-inhibitor complexes using a preference-based free-energy surfaceQ71671442
Structure-based thermodynamic analysis of HIV-1 protease inhibitorsQ73417508
Loss of translational entropy in binding, folding, and catalysisQ73427985
P433issue4
P304page(s)366-369
P577publication date1998-08-01
P1433published inCurrent Opinion in BiotechnologyQ15763085
P1476titleStructure-based drug design
P478volume9

Reverse relations

cites work (P2860)
Q30725877A method for computational combinatorial peptide design of inhibitors of Ras protein
Q46229436A novel inhibitor of indole-3-glycerol phosphate synthase with activity against multidrug-resistant Mycobacterium tuberculosis
Q30767591A rapid method to identify exo-protease inhibitors
Q34104950Apurinic/apyrimidinic endonuclease/redox effector factor-1(APE/Ref-1): a unique target for the prevention and treatment of human melanoma
Q38025633Basic research in HIV vaccinology is hampered by reductionist thinking
Q30978202Design, docking, and evaluation of multiple libraries against multiple targets
Q37490567Expression of a unique drug-resistant Hsp90 ortholog by the nematode Caenorhabditis elegans
Q92443122Identifying Ortholog Selective Fragment Molecules for Bacterial Glutaredoxins by NMR and Affinity Enhancement by Modification with an Acrylamide Warhead
Q33452082Insight into ligand selectivity in HCV NS5B polymerase: molecular dynamics simulations, free energy decomposition and docking
Q33743748Molecular design versus empirical discovery in peptide-based vaccines. Coming to terms with fuzzy recognition sites and ill-defined structure-function relationships in immunology
Q34189143Pitfalls of reductionism in the design of peptide-based vaccines
Q27317992REdiii: a pipeline for automated structure solution
Q27620782Structure of acetylcholinesterase complexed with (-)-galanthamine at 2.3 A resolution
Q28071559Structure-Based Reverse Vaccinology Failed in the Case of HIV Because it Disregarded Accepted Immunological Theory
Q33238328Structure-based development of target-specific compound libraries
Q33834114Structure-based inhibitor design
Q31401240The structure of inosine 5'-monophosphate dehydrogenase and the design of novel inhibitors

main subject (P921)
Q59245627Discovery of Novel Druggable Sites on Zika Virus NS3 Helicase Using X-ray Crystallography-Based Fragment Screening
Q55016340Quantum Chemical Approaches in Structure-Based Virtual Screening and Lead Optimization.
Q38720600Semi-quantitative models for identifying potent and selective transthyretin amyloidogenesis inhibitors
Q56962039Truly Target-Focused Pharmacophore Modeling: A Novel Tool for Mapping Intermolecular Surfaces

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