المؤلفون: Raymond, Justine

المساهمون: University/Department: Universitat Rovira i Virgili. Departament de Química Analítica i Química Orgànica

Thesis Advisors: Pericàs Brondo, Miquel Àngel, Buschmann, Helmut

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: Virus de l'hepatite B (VHB), química en flux continu, disseny de fàrmacs in silico, química de flujo, diseño de fármacos in silico, Hepatitis B virus (HBV), flow chemistry, in silico drug design, Ciències

وصف الملف: application/pdf

URL الوصول: http://hdl.handle.net/10803/672255

المؤلفون: Detta, Elena

المساهمون: University/Department: Universitat Rovira i Virgili. Departament de Química Analítica i Química Orgànica

Thesis Advisors: Pericàs Brondo, Miquel Àngel, Buschmann, Helmut

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: Hepatitis B, assemblatge de la cápside, diseny the fàrmacs in silico, ensamblaje de la cápside, in silico diseño de fármacos, Capsid assembly, in silico drug design, Ciències

وصف الملف: application/pdf

URL الوصول: http://hdl.handle.net/10803/672214

المؤلفون: Marfisi-Schottman, Iza, Santuz, Hubert, Bisson, Camille, Baaden, Marc, Férey, Nicolas, Taly, Antoine, Delalande, Olivier

المساهمون: Laboratoire d'Informatique de l'Université du Mans (LIUM), Le Mans Université (UM), IUT de Laval, Laboratoire de biochimie théorique Paris (LBT (UPR_9080)), Institut de biologie physico-chimique (IBPC (FR_550)), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS), Université de Rennes (UR), Laboratoire Interdisciplinaire des Sciences du Numérique (LISN), Institut National de Recherche en Informatique et en Automatique (Inria)-CentraleSupélec-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Virtual & augmented ENvIronments for Simulation & Experiments - LISN (VENISE), Institut National de Recherche en Informatique et en Automatique (Inria)-CentraleSupélec-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche en Informatique et en Automatique (Inria)-CentraleSupélec-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Interaction avec l'Humain (IaH), Institut National de Recherche en Informatique et en Automatique (Inria)-CentraleSupélec-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche en Informatique et en Automatique (Inria)-CentraleSupélec-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Diderot - Paris 7 (UPD7)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS), Institut de Génétique et Développement de Rennes (IGDR), Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS)-Structure Fédérative de Recherche en Biologie et Santé de Rennes (Biosit : Biologie - Santé - Innovation Technologique), Avo Schönbohm, Francesco Bellotti, Antonio Bucchiarone, Francesca de Rosa, Manuel Ninaus, Alf Wang, Vanissa Wanick, Pierpaolo Dondio, ANR-11-LABX-0011,DYNAMO,Dynamique des membranes transductrices d'énergie : biogénèse et organisation supramoléculaire.(2011), ANR-21-CE45-0014,PIRATE,Pharmacophore Interactif grace à la Réalité AugmenTéE(2021)

المصدر: Games and Learning Alliance 13th International Conference, GALA 2024 ; https://hal.science/hal-04794554 ; Games and Learning Alliance 13th International Conference, GALA 2024, Nov 2024, Berlin (Germany), Germany

مصطلحات موضوعية: serious games molecules pharmacophores in silico drug design collaborative games augmented reality, serious games, molecules, pharmacophores, in silico drug design, collaborative games, augmented reality, TEL, IEAH, [INFO.EIAH]Computer Science [cs]/Technology for Human Learning, [SDV.SP.PHARMA]Life Sciences [q-bio]/Pharmaceutical sciences/Pharmacology

جغرافية الموضوع: Berlin (Germany), Germany

الاتاحة: https://hal.science/hal-04794554
https://hal.science/hal-04794554v1/document
https://hal.science/hal-04794554v1/file/article_GALA_PharmaZ_vf.pdf

المؤلفون: Payam Benyamini

المصدر: Toxins, Vol 16, Iss 6, p 271 (2024)

مصطلحات موضوعية: antigen vaccine, immunotherapy, infectious diseases, in silico drug design, Gram-negative bacteria, Pseudomonas aeruginosa, Medicine

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2072-6651/16/6/271; https://doaj.org/toc/2072-6651

URL الوصول: https://doaj.org/article/036c7a54177248fb87edc0fde6ee2a76

المؤلفون: Noimul Hasan Siddiquee, Md Ifteker Hossain, Md Enamul Kabir Talukder, Syed Afnan Arefin Nirob, Md Shourav, Israt Jahan, Umme Habiba Akter Tamanna, Pinky Das, Rahima Akter, Mahmudul Hasan, Md Abdullah-Al-Mamun, Otun Saha

المصدر: Informatics in Medicine Unlocked, Vol 45, Iss , Pp 101458- (2024)

مصطلحات موضوعية: In-silico drug design, Ebola virus VP40 protein, Pharmacokinetics [ADME] and toxicity, Molecular docking, Post docking MM-GBSA, MD simulation and PCA, Computer applications to medicine. Medical informatics, R858-859.7

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2352914824000145; https://doaj.org/toc/2352-9148

URL الوصول: https://doaj.org/article/bf590953de2440e6ac132af545e2e2b6

المؤلفون: Noimul Hasan Siddiquee, Salina Malek, Afsan Ara Tanni, Israt Jahan Mitu, Sanjida Hossain Arpa, Md Rakibul Hasan, Sayeda Eshmita Jahan Shammi, Cotton Chakma, Mahinur Mahinur, Shah Wajed, Md Ifteker Hossain, Md Aktaruzzaman, Otun Saha

المصدر: Informatics in Medicine Unlocked, Vol 47, Iss , Pp 101486- (2024)

مصطلحات موضوعية: In-silico drug design, Chikungunya virus envelope glycoprotein, ADMET, Molecular docking and post docking MM-GBSA, MD simulation, PCA, Computer applications to medicine. Medical informatics, R858-859.7

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S235291482400042X; https://doaj.org/toc/2352-9148

URL الوصول: https://doaj.org/article/7a0c1928884b4e7794959d2522baf7c8

المؤلفون: Noimul Hasan Siddiquee, Afsan Ara Tanni, Nikkon Sarker, Shahadul Hassan Sourav, Lamia Islam, Masuma Akter Mili, Fahima Akter, Suhag Chandra Roy, Md Abdullah-Al-Mamun, Salina Malek, Samia Afsari, Md Ashraful Islam, Shah Wajed

المصدر: Informatics in Medicine Unlocked, Vol 48, Iss , Pp 101522- (2024)

مصطلحات موضوعية: In-silico drug design, Human cytomegalovirus protease, ADMET, Molecular docking, Post-docking MM-GBSA, MD simulation, Computer applications to medicine. Medical informatics, R858-859.7

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2352914824000789; https://doaj.org/toc/2352-9148

URL الوصول: https://doaj.org/article/6d0f0094005d4f3783d5fea0be298174

المؤلفون: Agar, S., Akkurt, B., Ulukaya, E.

مصطلحات موضوعية: İn Silico Drug Design, Molecular Docking, Molecular Dynamics, Nonalcoholic Steatohepatitis, ?2-Spectrin

Relation: Journal of the Turkish Chemical Society, Section A: Chemistry; Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı; https://doi.org/10.18596/jotcsa.1395403; https://hdl.handle.net/20.500.12713/4420; 11; 585; 590; 2-s2.0-85188545376; Q4

الاتاحة: https://hdl.handle.net/20.500.12713/4420
https://doi.org/10.18596/jotcsa.1395403

المؤلفون: Kanak Raj Kanak, Regina Sharmila Dass, Archana Pan

المصدر: Frontiers in Molecular Biosciences, Vol 10 (2023)

مصطلحات موضوعية: antimicrobial resistance, in silico drug design, molecular docking, microbial nanoparticle interaction, PatchDock, Pseudomonas aeruginosa, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fmolb.2023.1203672/full; https://doaj.org/toc/2296-889X

URL الوصول: https://doaj.org/article/e54b24e047264e82b9f877bb0899c423

المؤلفون: Paptawan Thongdee, Yoshinobu Nagura, Haruna Sabishiro, Naruedon Phusi, Darunee Sukchit, Pharit Kamsri, Auradee Punkvang, Khomson Suttisintong, Pornpan Pungpo, Noriyuki Kurita

مصطلحات موضوعية: Biochemistry, Molecular Biology, Pharmacology, Cancer, Infectious Diseases, Virology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, M. tuberculosis, DNA gyrase, GyrB, fragment molecular orbital, molecular dynamics, molecular mechanics, specific interactions, inhibitor, pyrrolamides, in silico drug design

Relation: https://figshare.com/articles/journal_contribution/Elucidating_specific_interactions_for_designing_novel_pyrrolamide_derivatives_as_potential_GyrB_inhibitors_based_on_i_ab_initio_i_fragment_molecular_orbital_calculations/24771909

الاتاحة: https://doi.org/10.6084/m9.figshare.24771909.v1
https://figshare.com/articles/journal_contribution/Elucidating_specific_interactions_for_designing_novel_pyrrolamide_derivatives_as_potential_GyrB_inhibitors_based_on_i_ab_initio_i_fragment_molecular_orbital_calculations/24771909

المؤلفون: Sebastjan Kralj, Marko Jukič, Urban Bren

المصدر: Encyclopedia; Volume 3; Issue 2; Pages: 501-511

مصطلحات موضوعية: medicinal chemistry, filtering chemical libraries, chemical space, HTVS, virtual screening, computer aided drug-design, in silico drug design, bioinformatics, chemoinformatics, compound library

وصف الملف: application/pdf

Relation: Chemistry; https://dx.doi.org/10.3390/encyclopedia3020035

الاتاحة: https://doi.org/10.3390/encyclopedia3020035

المؤلفون: Ian Steinke, Manoj Govindarajulu, Priyanka Das Pinky, Jenna Bloemer, Sieun Yoo, Tracey Ward, Taylor Schaedig, Taylor Young, Fajar Setyo Wibowo, Vishnu Suppiramaniam, Rajesh H. Amin

المصدر: Cells; Volume 12; Issue 8; Pages: 1116

مصطلحات موضوعية: peroxisomal proliferator activating receptor, in silico drug design, neurodegeneration, Alzheimer’s disease, synaptic plasticity, behavioral deficits, dendritic spines

وصف الملف: application/pdf

Relation: Cells of the Cardiovascular System; https://dx.doi.org/10.3390/cells12081116

الاتاحة: https://doi.org/10.3390/cells12081116

المؤلفون: Mohammad Habibur Rahman Molla, Mohammed Othman Aljahdali

المصدر: Journal of King Saud University: Science, Vol 34, Iss 8, Pp 102346- (2022)

مصطلحات موضوعية: In-silico drug design, VP26, Virtual screening, W. somnifera, Molecular dynamics simulation, Science (General), Q1-390

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S1018364722005274; https://doaj.org/toc/1018-3647

URL الوصول: https://doaj.org/article/dee646b511f645049769ae8ecb7b7eea

المؤلفون: Ram Kothandan, Cashlin Anna Suveetha Gnana Rajan, Janamitra Arjun, Rejoe Raymond Michael Raj, Sowfia Syed

المصدر: Beni-Suef University Journal of Basic and Applied Sciences, Vol 10, Iss 1, Pp 1-7 (2021)

مصطلحات موضوعية: In silico drug design, Virtual screening, Retroviral infection, Medicine (General), R5-920, Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2314-8543

URL الوصول: https://doaj.org/article/b7b0e0d14fbc49bc924e87837b5658dc

المؤلفون: Suprim Tha, Sapana Shakya, Rajani Malla, Pramod Aryal

المصدر: BMC Pharmacology and Toxicology, Vol 21, Iss 1, Pp 1-11 (2020)

مصطلحات موضوعية: In silico drug design, Drug resistance, Indoles, SAM, Molecular docking, Therapeutics. Pharmacology, RM1-950, Toxicology. Poisons, RA1190-1270

وصف الملف: electronic resource

Relation: http://link.springer.com/article/10.1186/s40360-020-00402-9; https://doaj.org/toc/2050-6511

URL الوصول: https://doaj.org/article/bc264175c21a4c6a91db0356407411ac

المؤلفون: Wentao Shi, Manali Singha, Gopal Srivastava, Limeng Pu, J. Ramanujam, Michal Brylinski

المصدر: Frontiers in Pharmacology, Vol 13 (2022)

مصطلحات موضوعية: ligand binding sites, drug discovery and development, in silico drug design, deep learning, graph neural network, recurrent neural network, Therapeutics. Pharmacology, RM1-950

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fphar.2022.837715/full; https://doaj.org/toc/1663-9812

URL الوصول: https://doaj.org/article/263f1fe6dc3a4af2ae9fb5019c49236a

المؤلفون: Federica Alamia, Gabriele La Monica, Alessia Bono, Antonino Lauria, Annamaria Martorana.

المساهمون: Federica Alamia, Gabriele La Monica, Alessia Bono, Antonino Lauria, Annamaria Martorana.

مصطلحات موضوعية: Breast cancer, TNBC, Flavonoid, scaffold-hopping, in silico drug design, Settore CHIM/08 - Chimica Farmaceutica

Relation: ispartofbook:Workshop: Enabling new alternatives to animal models. Discovering integrated and multidisciplinary strategies to minimize animal testing; Enabling new alternatives to animal models. Discovering integrated and multidisciplinary strategies to minimize animal testing.; numberofpages:3; https://hdl.handle.net/10447/647453

الاتاحة: https://hdl.handle.net/10447/647453

المؤلفون: Park, Ho-Min, Park, Yunseol, Vankerschaver, Joris, Van Messem, Arnout, De Neve, Wesley, Shim, Hyunjin

المصدر: Pharmaceuticals, 15 (3), 310 (2022-03-04)

مصطلحات موضوعية: AlphaFold, anti-CRISPR proteins, bacteriophages, in-silico drug design, prokaryotic defence mechanisms, protein drug, structural biology, Molecular Medicine, Pharmaceutical Science, Drug Discovery, Engineering, computing & technology, Life sciences, Biotechnology, Ingénierie, informatique & technologie, Sciences du vivant, Biotechnologie

Relation: https://www.mdpi.com/1424-8247/15/3/310/pdf; https://www.mdpi.com/1424-8247/15/3/310/pdf; https://www.mdpi.com/1424-8247/15/3/310/pdf; urn:issn:1424-8247

URL الوصول: https://orbi.uliege.be/handle/2268/265520

المؤلفون: Jukič, Marko, Škrlj, Blaž, Tomšič, Gašper, Pleško, Sebastian, Podlipnik, Črtomir, Bren, Urban

المصدر: Molecules, vol. 26, no. 10, 3003, 2021. ; ISSN: 1420-3049

مصطلحات موضوعية: COVID-19, SARS-CoV-2, free-energy calculations, in silico drug design, virtual screening, inhibitors, 3C-like protease, M$^{pro}$, 3CL$^{pro}$, high-throughput, chemical library design, machine learning, compound prioritisation, izračunavanja, inhibitorji, pokazatelji, proteaze, koronavirusi, info:eu-repo/classification/udc/578.834

وصف الملف: application/pdf; text/url

Relation: https://repozitorij.uni-lj.si/IzpisGradiva.php?id=135301; https://repozitorij.uni-lj.si/Dokument.php?id=154292&dn=; https://repozitorij.uni-lj.si/Dokument.php?id=154291&dn=; https://plus.cobiss.net/cobiss/si/sl/bib/63953411; http://hdl.handle.net/20.500.12556/RUL-135301

الاتاحة: https://repozitorij.uni-lj.si/IzpisGradiva.php?id=135301
https://repozitorij.uni-lj.si/Dokument.php?id=154292&dn=
https://repozitorij.uni-lj.si/Dokument.php?id=154291&dn=
https://plus.cobiss.net/cobiss/si/sl/bib/63953411
https://hdl.handle.net/20.500.12556/RUL-135301

المؤلفون: Ghanem, M.S., Caffa, I., Del Rio, A., Franco, J., Parenti, M.D., Monacelli, F., Cea, M., Khalifa, A., Nahimana, A., Duchosal, M.A., Ravera, S., Bertola, N., Bruzzone, S., Nencioni, A., Piacente, F.

المصدر: Pharmaceuticals, vol. 15, no. 7, pp. 848

مصطلحات موضوعية: NAD, NAD synthesis, NAMPT, NAPRT inhibitors, anti-cancer agents, cancer metabolism, in silico drug design

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/pmid/35890147; info:eu-repo/semantics/altIdentifier/pissn/1424-8247; info:eu-repo/semantics/altIdentifier/urn/urn:nbn:ch:serval-BIB_844224CADBEE6; https://serval.unil.ch/notice/serval:BIB_844224CADBEE; https://serval.unil.ch/resource/serval:BIB_844224CADBEE.P001/REF.pdf

الاتاحة: https://serval.unil.ch/notice/serval:BIB_844224CADBEE
https://doi.org/10.3390/ph15070848
https://serval.unil.ch/resource/serval:BIB_844224CADBEE.P001/REF.pdf
http://nbn-resolving.org/urn/resolver.pl?urn=urn:nbn:ch:serval-BIB_844224CADBEE6