Log in

Relevant bibliographies by topics / Structure drug design

Contents

Journal articles
Dissertations / Theses
Books
Book chapters
Conference papers
Reports

Academic literature on the topic 'Structure drug design'

Author: Grafiati

Published: 5 June 2025

Last updated: 2 August 2025

Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles

Select a source type:

Consult the lists of relevant articles, books, theses, conference reports, and other scholarly sources on the topic 'Structure drug design.'

Next to every source in the list of references, there is an 'Add to bibliography' button. Press on it, and we will generate automatically the bibliographic reference to the chosen work in the citation style you need: APA, MLA, Harvard, Chicago, Vancouver, etc.

You can also download the full text of the academic publication as pdf and read online its abstract whenever available in the metadata.

Journal articles on the topic "Structure drug design"

1

Barakat, Khaled H., Michael Houghton, D. Lorne Tyrrel, and Jack A. Tuszynski. "Rational Drug Design." International Journal of Computational Models and Algorithms in Medicine 4, no. 1 (2014): 59–85. http://dx.doi.org/10.4018/ijcmam.2014010104.

Full text

Abstract:

For the past three decades rationale drug design (RDD) has been developing as an innovative, rapid and successful way to discover new drug candidates. Many strategies have been followed and several targets with diverse structures and different biological roles have been investigated. Despite the variety of computational tools available, one can broadly divide them into two major classes that can be adopted either separately or in combination. The first class involves structure-based drug design, when the target's 3-dimensional structure is available or it can be computationally generated using

APA, Harvard, Vancouver, ISO, and other styles

2

Amzel, L. Mario. "Structure-based drug design." Current Opinion in Biotechnology 9, no. 4 (1998): 366–69. http://dx.doi.org/10.1016/s0958-1669(98)80009-8.

Full text

APA, Harvard, Vancouver, ISO, and other styles

3

Johnson, L. N. "Structure based drug design." Acta Crystallographica Section A Foundations of Crystallography 49, s1 (1993): c4. http://dx.doi.org/10.1107/s0108767378099882.

Full text

APA, Harvard, Vancouver, ISO, and other styles

4

HENRY, CELIA M. "STRUCTURE-BASED DRUG DESIGN." Chemical & Engineering News 79, no. 23 (2001): 69–78. http://dx.doi.org/10.1021/cen-v079n023.p069.

Full text

APA, Harvard, Vancouver, ISO, and other styles

5

Colman, Peter M. "Structure-based drug design." Current Opinion in Structural Biology 4, no. 6 (1994): 868–74. http://dx.doi.org/10.1016/0959-440x(94)90268-2.

Full text

APA, Harvard, Vancouver, ISO, and other styles

6

Zhang, Changsheng, and Luhua Lai. "Towards structure-based protein drug design." Biochemical Society Transactions 39, no. 5 (2011): 1382–86. http://dx.doi.org/10.1042/bst0391382.

Full text

Abstract:

Structure-based drug design for chemical molecules has been widely used in drug discovery in the last 30 years. Many successful applications have been reported, especially in the field of virtual screening based on molecular docking. Recently, there has been much progress in fragment-based as well as de novo drug discovery. As many protein–protein interactions can be used as key targets for drug design, one of the solutions is to design protein drugs based directly on the protein complexes or the target structure. Compared with protein–ligand interactions, protein–protein interactions are more

APA, Harvard, Vancouver, ISO, and other styles

7

Nishigaya, Yuki, Tadashi Satoh, Yoshiki Tanaka, and Simon Miller. "Agrochemical structure-based drug design." Japanese Journal of Pesticide Science 48, no. 2 (2023): 159–64. http://dx.doi.org/10.1584/jpestics.w23-36.

Full text

APA, Harvard, Vancouver, ISO, and other styles

8

Whittle, P. J., and T. L. Blundell. "Protein Structure-Based Drug Design." Annual Review of Biophysics and Biomolecular Structure 23, no. 1 (1994): 349–75. http://dx.doi.org/10.1146/annurev.bb.23.060194.002025.

Full text

APA, Harvard, Vancouver, ISO, and other styles

9

Blundell, T. L. "Protein structure and drug design." Journal of Molecular Graphics 11, no. 4 (1993): 265. http://dx.doi.org/10.1016/0263-7855(93)80024-l.

Full text

APA, Harvard, Vancouver, ISO, and other styles

10

Flight, Monica Hoyos. "Drug Discovery: Structure-led design." Nature 502, no. 7471 (2013): S50—S52. http://dx.doi.org/10.1038/502s50a.

Full text

APA, Harvard, Vancouver, ISO, and other styles

More sources

Dissertations / Theses on the topic "Structure drug design"

1

Jenvey, Michelle Catherine. "Structure led drug design for the pentraxins." Thesis, University of Southampton, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.439382.

Full text

APA, Harvard, Vancouver, ISO, and other styles

2

Mukherjee, Sreya. "Applications of Molecular Modelling and Structure Based Drug Design in Drug Discovery." Scholar Commons, 2016. http://scholarcommons.usf.edu/etd/6331.

Full text

Abstract:

Calcium ions have important roles in cellular processes including intracellular signaling, protein folding, enzyme activation and initiation of programmed cell death. Cells maintain low levels of calcium in their cytosol in order to regulate these processes. When activation of calcium-dependent processes is needed, cells can release calcium stored in the endoplasmic reticulum (ER) into the cytosol to initiate the processes. This can also initiate formation of plasma membrane channels that allow entry of additional calcium from the extracellular milieu. The change in calcium levels is referred

APA, Harvard, Vancouver, ISO, and other styles

3

Ward, Richard. "Targeting inositol monophosphatase in structure-based drug design." Thesis, University of Birmingham, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.289291.

Full text

APA, Harvard, Vancouver, ISO, and other styles

4

Wang, Feng. "Structure-based drug mechanism study and inhibitor design targeting tuberculosis." [College Station, Tex. : Texas A&M University, 2007. http://hdl.handle.net/1969.1/ETD-TAMU-1439.

Full text

APA, Harvard, Vancouver, ISO, and other styles

5

Rufino, Stephen Duarte. "Analysis, comparison and prediction of protein structure." Thesis, Birkbeck (University of London), 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.243648.

Full text

APA, Harvard, Vancouver, ISO, and other styles

6

Vankayala, Sai Lakshmana Kumar. "Computational Approaches for Structure Based Drug Design and Protein Structure-Function Prediction." Scholar Commons, 2013. http://scholarcommons.usf.edu/etd/4601.

Full text

Abstract:

This dissertation thesis consists of a series of chapters that are interwoven by solving interesting biological problems, employing various computational methodologies. These techniques provide meaningful physical insights to promote the scientific fields of interest. Focus of chapter 1 concerns, the importance of computational tools like docking studies in advancing structure based drug design processes. This chapter also addresses the prime concerns like scoring functions, sampling algorithms and flexible docking studies that hamper the docking successes. Information about the different kin

APA, Harvard, Vancouver, ISO, and other styles

7

Riedinger, Christiane. "Tumour suppressors and oncogenes : Structure, function and drug design." Thesis, University of Oxford, 2008. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.533846.

Full text

APA, Harvard, Vancouver, ISO, and other styles

8

Pressman, Julie Schames. "Structure-based drug design : what to do when you don't have a structure /." Diss., Connect to a 24 p. preview or request complete full text in PDF format. Access restricted to UC campuses, 2005. http://wwwlib.umi.com/cr/ucsd/fullcit?p3170248.

Full text

APA, Harvard, Vancouver, ISO, and other styles

9

Srivastava, Sanjay. "Structure-activity relationship studies in medicinal chemistry and drug design." Case Western Reserve University School of Graduate Studies / OhioLINK, 1992. http://rave.ohiolink.edu/etdc/view?acc_num=case1056054628.

Full text

APA, Harvard, Vancouver, ISO, and other styles

10

Rogers, Graeme W. "The development of sialidase inhibitors using structure-based drug design." Thesis, University of St Andrews, 2017. http://hdl.handle.net/10023/15516.

Full text

Abstract:

The sialidases/neuraminidases represent a family of enzymes whose function is important in the pathogenicity of bacteria and the virulence of influenza. Relenza and Tamiflu represent two drugs that were developed using structure-based drug design (SBDD) and computational-assisted drug design (CADD). These drugs target the active site of the influenza neuraminidase A and B (GH-34 family). Sialidases in the GH-33 family could represent novel drug targets for the treatment of bacterial or parasitic infection. SBDD was employed to develop chemical tools of two GH-33 sialidases, NanB and TcTS. NanB

APA, Harvard, Vancouver, ISO, and other styles

More sources

Books on the topic "Structure drug design"

1

Codding, Penelope W., ed. Structure-Based Drug Design. Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-015-9028-0.

Full text

APA, Harvard, Vancouver, ISO, and other styles

2

Pandi, Veerapandian, ed. Structure-based drug design. Marcel Dekker, 1997.

Find full text

APA, Harvard, Vancouver, ISO, and other styles

3

Marti, Marcelo A., Adrian Gustavo Turjanski, and Dario Fernández Do Porto, eds. Structure-Based Drug Design. Springer International Publishing, 2024. http://dx.doi.org/10.1007/978-3-031-69162-1.

Full text

APA, Harvard, Vancouver, ISO, and other styles

4

Harren, Jhoti, and Leach Andrew R, eds. Structure-based drug discovery. Springer, 2007.

Find full text

APA, Harvard, Vancouver, ISO, and other styles

5

Merz, Kenneth M. Drug design: Structure- and ligand-based approaches. Cambridge University Press, 2010.

Find full text

APA, Harvard, Vancouver, ISO, and other styles

6

1959-, Merz Kenneth M., Ringe Dagmar, and Reynolds Charles H. 1957-, eds. Drug design: Structure and ligand-based approaches. Cambridge University Press, 2010.

Find full text

APA, Harvard, Vancouver, ISO, and other styles

7

de, Waterbeemd Han van, ed. Structure-property correlations in drug research. Academic Press, 1996.

Find full text

APA, Harvard, Vancouver, ISO, and other styles

8

de, Waterbeemd Han van, ed. Structure-property correlations in drug research. R.G. Langes Co., 1996.

Find full text

APA, Harvard, Vancouver, ISO, and other styles

9

Fischer, Wolfgang B., ed. Viral Membrane Proteins: Structure, Function, and Drug Design. Springer US, 2005. http://dx.doi.org/10.1007/0-387-28146-0.

Full text

APA, Harvard, Vancouver, ISO, and other styles

10

W, Codding Penelope, North Atlantic Treaty Organization. Scientific Affairs Division., and NATO Advanced Study Institute on Experimental and Computational Approaches to Structure-Based Drug Design (1996 : Erice, Italy), eds. Structure-based drug design: Experimental and computational approaches. Kluwer Academic Publishers, 1998.

Find full text

APA, Harvard, Vancouver, ISO, and other styles

More sources

Book chapters on the topic "Structure drug design"

1

Klebe, Gerhard. "Quantitative Structure–Activity Relationships." In Drug Design. Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-17907-5_18.

Full text

APA, Harvard, Vancouver, ISO, and other styles

2

Klebe, Gerhard. "Quantitative Structure–Activity Relationships." In Drug Design. Springer Berlin Heidelberg, 2024. https://doi.org/10.1007/978-3-662-68998-1_18.

Full text

APA, Harvard, Vancouver, ISO, and other styles

3

Klebe, Gerhard. "Experimental Methods of Structure Determination." In Drug Design. Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-17907-5_13.

Full text

APA, Harvard, Vancouver, ISO, and other styles

4

Klebe, Gerhard. "Three-Dimensional Structure of Biomolecules." In Drug Design. Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-17907-5_14.

Full text

APA, Harvard, Vancouver, ISO, and other styles

5

Klebe, Gerhard. "Experimental Methods of Structure Determination." In Drug Design. Springer Berlin Heidelberg, 2024. https://doi.org/10.1007/978-3-662-68998-1_13.

Full text

APA, Harvard, Vancouver, ISO, and other styles

6

Klebe, Gerhard. "Three-Dimensional Structure of Biomolecules." In Drug Design. Springer Berlin Heidelberg, 2024. https://doi.org/10.1007/978-3-662-68998-1_14.

Full text

APA, Harvard, Vancouver, ISO, and other styles

7

Klebe, Gerhard. "Screening Technologies for Lead Structure Discovery." In Drug Design. Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-17907-5_7.

Full text

APA, Harvard, Vancouver, ISO, and other styles

8

Klebe, Gerhard. "Screening Technologies for Lead Structure Discovery." In Drug Design. Springer Berlin Heidelberg, 2024. https://doi.org/10.1007/978-3-662-68998-1_7.

Full text

APA, Harvard, Vancouver, ISO, and other styles

9

Klebe, Gerhard. "Protein Modeling and Structure-Based Drug Design." In Drug Design. Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-17907-5_20.

Full text

APA, Harvard, Vancouver, ISO, and other styles

10

Klebe, Gerhard. "Protein Modeling and Structure-Based Drug Design." In Drug Design. Springer Berlin Heidelberg, 2024. https://doi.org/10.1007/978-3-662-68998-1_20.

Full text

APA, Harvard, Vancouver, ISO, and other styles

Conference papers on the topic "Structure drug design"

1

Chaudhary, Shashank, Devyani Chudasama, Jaiprakash Verma, and Swati Jain. "Analysing Scoring Functions for Molecular Structure-based Drug Design." In 2024 First International Conference on Technological Innovations and Advance Computing (TIACOMP). IEEE, 2024. http://dx.doi.org/10.1109/tiacomp64125.2024.00036.

Full text

APA, Harvard, Vancouver, ISO, and other styles

2

Tyrell, Stacey, Mark Robeson, Courtney Kube, Dennis McCarthy, and Ronald Lavin. "Dual-Use Structures: Composite Wing with Structural Antenna Aperture." In Vertical Flight Society 72nd Annual Forum & Technology Display. The Vertical Flight Society, 2016. http://dx.doi.org/10.4050/f-0072-2016-11552.

Full text

Abstract:

Many modern aircraft, including rotorcraft, require conformal antennas and fairings to reduce wind drag, ice accretion, lightning strikes, and impact damage. An innovative composite wing configuration with a structural Ultra High Frequency (UHF) antenna window "aperture" has been developed. The wing is based on variants of lightweight X-Cor® sandwich core technology for durability and damage tolerance, with tailored electromagnetic properties in the aperture region of the wing. This paper presents a brief introduction to helicopter wings, a summary of recent research at Boeing and Army leading

APA, Harvard, Vancouver, ISO, and other styles

3

Wang, Junjie, Hui Yu, and Liang Zheng. "Structural Design and Analysis of a Novel Dual-Drug Delivery Capsule Robot." In 2024 IEEE International Conference on Mechatronics and Automation (ICMA). IEEE, 2024. http://dx.doi.org/10.1109/icma61710.2024.10633003.

Full text

APA, Harvard, Vancouver, ISO, and other styles

4

Barhate, Yash, Daniel Casas-Orozco, Daniel J. Laky, Gintaras V. Reklaitis, and Zoltan K. Nagy. "Hybrid Rule-based and Optimization-driven Decision Framework for the Rapid Synthesis of End-to-End Optimal (E2EO) and Sustainable Pharmaceutical Manufacturing Flowsheets." In Foundations of Computer-Aided Process Design. PSE Press, 2024. http://dx.doi.org/10.69997/sct.115998.

Full text

Abstract:

In this paper, a hybrid heuristic rule-based and deterministic optimization-driven process decision framework is presented for the analysis and optimization of process flowsheets for end-to-end optimal (E2E0) pharmaceutical manufacturing. The framework accommodates various operating modes, such as batch, semi-batch and continuous, for the different unit operations that implement each manufacturing step. To address the challenges associated with solving process synthesis problems using a simulation-optimization approach, heuristic-based process synthesis rules are employed to facilitate the red

APA, Harvard, Vancouver, ISO, and other styles

5

Selboe, G., H. Osvoll, and L. Brattas. "Optimizing of Corrosion Protection Based on a Combination of Cathodic Protection (CP) and Coating." In CORROSION 2004. NACE International, 2004. https://doi.org/10.5006/c2004-04097.

Full text

Abstract:

Abstract When cathodically protecting a structure with sacrificial anodes, the required anode weight will decrease if the structure additionally is coated. For a lot of structures, reduction in weight is an important factor. It is important to reduce the lift weight for installation purposes and for design purposes it is important to reduce drag forces. Coating in combination with cathodic protection doesn't mean that the structure has to be 100% coated. By coating 90% of the surface areas, the anode weight may be reduced dramatically. This means that welding zones and damage to coating system

APA, Harvard, Vancouver, ISO, and other styles

6

Houston, Douglas R., Ian Eggleston, Martin G. Peter, Bjornar Synstad, Vincent G. H. Eijsink, and Daan M. F. van Aalten. "CHITINASES - REACTION MECHANISM AND STRUCTURE-BASED DRUG DESIGN." In XXIst International Carbohydrate Symposium 2002. TheScientificWorld Ltd, 2002. http://dx.doi.org/10.1100/tsw.2002.472.

Full text

APA, Harvard, Vancouver, ISO, and other styles

7

Dolla, William Jacob S., Brian A. Fricke, and Bryan R. Becker. "Auxetic Drug-Eluting Stent Design." In ASME 2006 Frontiers in Biomedical Devices Conference. ASMEDC, 2006. http://dx.doi.org/10.1115/nanobio2006-18035.

Full text

Abstract:

A cardiovascular stent is a cylindrical wire mesh structure that is permanently introduced into an artery during angioplasty (balloon dilatation) to act as a scaffold, thus preventing elastic recoil and/or sudden collapse of the damaged artery. While cardiovascular stents virtually eliminate elastic recoil and/or collapse of the artery, recognition of the stent as a foreign material triggers a human immune system response causing re-closure, or restenosis, of the artery. A recent advancement to counteract restenosis is to employ drug-eluting stents to locally deliver immunosuppressant and anti

APA, Harvard, Vancouver, ISO, and other styles

8

Barrett, Kayleigh, Samantha Michaels, Edelmar Navaluna, et al. "P316 Structure-based drug design forneisseria gonorrhoeae, chlamydia trachomatis,andmycoplasma genitalium." In Abstracts for the STI & HIV World Congress (Joint Meeting of the 23rd ISSTDR and 20th IUSTI), July 14–17, 2019, Vancouver, Canada. BMJ Publishing Group Ltd, 2019. http://dx.doi.org/10.1136/sextrans-2019-sti.427.

Full text

APA, Harvard, Vancouver, ISO, and other styles

9

Broglia, R. A. "Protein folding and non-conventional drug design: a primer for nuclear structure physicists." In THE LABYRINTH IN NUCLEAR STRUCTURE: International Conf. on The Labyrinth in Nuclear Structure, an EPS Nuclear Physics Divisional Conference. AIP, 2004. http://dx.doi.org/10.1063/1.1691696.

Full text

APA, Harvard, Vancouver, ISO, and other styles

10

Unterlass, Judith E., Nabila Aljufri, Sophie Bex, Celine Cano, Martin E. M. Noble, and Nicola J. Curtin. "Abstract 2448: Towards structure-based drug design of 3-phosphoglycerate dehydrogenase inhibitors." In Proceedings: AACR 106th Annual Meeting 2015; April 18-22, 2015; Philadelphia, PA. American Association for Cancer Research, 2015. http://dx.doi.org/10.1158/1538-7445.am2015-2448.

Full text

APA, Harvard, Vancouver, ISO, and other styles

Reports on the topic "Structure drug design"

1

DeLucas, Lawrence J. Crystallization, X-Ray Structure Determination and Structure-Based Drug Design for Targeted Malarial Enzymes. Defense Technical Information Center, 1998. http://dx.doi.org/10.21236/ada360337.

Full text

APA, Harvard, Vancouver, ISO, and other styles

2

Marks, James. Structural Basis of EGFR Dimerization for Drug Design. Defense Technical Information Center, 2000. http://dx.doi.org/10.21236/ada396569.

Full text

APA, Harvard, Vancouver, ISO, and other styles

3

Swaminathan, Subramanyam. Structural Studies on Intact Clostridium Botulinum Neurotoxins Complexed With Inhibitors Leading to Drug Design. Defense Technical Information Center, 2003. http://dx.doi.org/10.21236/ada411713.

Full text

APA, Harvard, Vancouver, ISO, and other styles

4

Swaminathan, Subramanyam. Structural Studies on Intact Clostridium botulinum Neurotoxins Complexed with Inhibitors Leading to Drug Design. Defense Technical Information Center, 2009. http://dx.doi.org/10.21236/ada504608.

Full text

APA, Harvard, Vancouver, ISO, and other styles

5

Swaminathan, Subramanyam. Structural Studies on Intact Clostridium Botulinum Neurotoxins Complexes with Inhibitors Leading to Drug Design. Defense Technical Information Center, 2004. http://dx.doi.org/10.21236/ada422765.

Full text

APA, Harvard, Vancouver, ISO, and other styles

6

Swaminathan, S. Structural Studies on Intact Clostridium botulinum Neurotoxins Complexed with Inhibitors Leading to Drug Design. Defense Technical Information Center, 2007. http://dx.doi.org/10.21236/ada466176.

Full text

APA, Harvard, Vancouver, ISO, and other styles

7

Swaminathan, Subramanyam. Structural Studies on Intact Clostridium Botulinum Neurotoxins Complexed with Inhibitors Leading to Drug Design. Defense Technical Information Center, 2006. http://dx.doi.org/10.21236/ada466700.

Full text

APA, Harvard, Vancouver, ISO, and other styles

8

Swaminathan, Subramanyam. Structural Studies on Intact Clostridium botulinum Neurotoxins Complexed with Inhibitors Leading to Drug Design. Defense Technical Information Center, 2008. http://dx.doi.org/10.21236/ada482360.

Full text

APA, Harvard, Vancouver, ISO, and other styles

9

List, Markus, Quirin Manz, Judith Bernett, et al. D2.1 Whitepaper on the platform knowledge base and data standards for in silico drug repurposing. REPO4EU, 2024. https://doi.org/10.58647/repo4eu.202400d2.1.

Full text

Abstract:

Computational drug repurposing integrates data from diverse sources, such as sequence databases, GWAS studies, or high-throughput screens. Depending on the original use case or field of research, they vary in availability, timeliness, and compatibility with other data sources. Further, numerous computational tools have been introduced designed to identify active disease modules, indications, or drug-target interactions that use different methods and strategies while not adhering to standard guidelines. Clearing and harmonising the resulting inconsistencies consume essential resources such that

APA, Harvard, Vancouver, ISO, and other styles

10

Trim, M., Matthew Murray, and C. Crane. Modernization and structural evaluation of the improved Overhead Cable System. Engineer Research and Development Center (U.S.), 2021. http://dx.doi.org/10.21079/11681/40025.

Full text

Abstract:

A modernized Overhead Cable System prototype for a 689 ft (210 m) Improved Ribbon Bridge crossing was designed, assembled, and structurally tested. Two independent structural tests were executed, i.e., a component-level compression test of the BSS tower was performed to determine its load capacity and failure mode; and a system-level ‘dry’ test of the improved OCS prototype was conducted to determine the limit state and failure mode of the entire OCS. In the component-level compression test of the BSS tower, the compressive capacity was determined to be 102 kips, and the failure mode was local

APA, Harvard, Vancouver, ISO, and other styles

We offer discounts on all premium plans for authors whose works are included in thematic literature selections. Contact us to get a unique promo code!