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Recent advances in computer-aided drug designCHUN MENG SONG; SHEN JEAN LIM; JOO CHUAN TONG et al.Briefings in bioinformatics. 2009, Vol 10, Num 5, pp 579-591, issn 1467-5463, 13 p.Article

Towards the development of universal, fast and highly accurate docking/scoring methods : a long way to goMOITESSIER, N; ENGLEBIENNE, P; LEE, D et al.British journal of pharmacology. 2008, Vol 153, issn 0007-1188, S7-S26, SUP1Article

Investigation of DNA-Binding Properties of Organic Molecules Using Quantitative Structure-Activity Relationship (QSAR) ModelsVERMA, Rajeshwar P; HANSCH, Corwin.Journal of pharmaceutical sciences. 2008, Vol 97, Num 1, pp 88-110, issn 0022-3549, 23 p.Article

Relationship Between Potential Aggregation-Prone Regions and HLA-DR-Binding T-Cell Immune Epitopes: Implications for Rational Design of Novel and Follow-on Therapeutic AntibodiesKUMAR, Sandeep; MITCHELL, Mark A; RUP, Bonita et al.Journal of pharmaceutical sciences. 2012, Vol 101, Num 8, pp 2686-2701, issn 0022-3549, 16 p.Article

Recent Advances in the Structure-Based Design of Neuraminidase Inhibitors as Antiinfluenza AgentsYUANYUAN SHAN; YING MA; MAOYI WANG et al.Current medicinal chemistry. 2012, Vol 19, Num 34, pp 5885-5894, issn 0929-8673, 10 p.Article

Virtual Screening Against ObesityMARKT, P; HERDLINGER, S; SCHUSTER, D et al.Current medicinal chemistry. 2011, Vol 18, Num 14, pp 2158-2173, issn 0929-8673, 16 p.Article

The Polymorphism of Progesterone : Stabilization of a 'Disappearing' Polymorph by Co-CrystallizationLANCASTER, Robert W; KARAMERTZANIS, Panagiotis G; HULME, Ashley T et al.Journal of pharmaceutical sciences. 2007, Vol 96, Num 12, pp 3419-3431, issn 0022-3549, 13 p.Article

Machine learning approaches for predicting compounds that interact with therapeutic and ADMET related proteinsLI, H; YAP, C. W; UNG, C. Y et al.Journal of pharmaceutical sciences. 2007, Vol 96, Num 11, pp 2838-2860, issn 0022-3549, 23 p.Article

Novel indoleamine 2,3-dioxygenase-1 inhibitors from a multistep in silico screenSMITH, Jason R; EVANS, Krystal J; WRIGHT, Adam et al.Bioorganic & medicinal chemistry. 2012, Vol 20, Num 3, pp 1354-1363, issn 0968-0896, 10 p.Article

Rational drug designMANDAL, Soma; MOUDGIL, Mee'nal; MANDAL, Sanat K et al.European journal of pharmacology. 2009, Vol 625, Num 1-3, pp 90-100, issn 0014-2999, 11 p.Article

Development of Polyphenols as HIV-1 Integrase Inhibitors: a Summary and PerspectiveYU, S; ZHAO, G.Current medicinal chemistry. 2012, Vol 19, Num 32, pp 5536-5561, issn 0929-8673, 26 p.Article

Ligand based pharmacophore model development for the identification of novel antiepileptic compoundHINA NAZ KHAN; KULSOOM, Saima; RASHID, Hamid et al.Epilepsy research. 2012, Vol 98, Num 1, pp 62-71, issn 0920-1211, 10 p.Article

Rational Drug Design: The Search for Ras Protein Hydrolysis Intermediate Conformation Inhibitors with Both Affinity and Specificity : Rational Drug Design with the Aid of Molecular Modeling and BioinformaticsXILIANG ZHENG; ZUOJIA LIU; DAN LI et al.Current pharmaceutical design (Print). 2013, Vol 19, Num 12, pp 2246-2258, issn 1381-6128, 13 p.Article

Computational Studies of Influenza A Virus at Three Important Targets: Hemagglutinin, Neuraminidase and M2 ProteinRUNGROTMONGKOL, Thanyada; YOTMANEE, Pathumwadee; NUNTHABOOT, Nadtanet et al.Current pharmaceutical design (Print). 2011, Vol 17, Num 17, pp 1720-1739, issn 1381-6128, 20 p.Article

Immunoproteasome in Cancer and Neuropathologies: A New Therapeutic Target?BELLAVISTA, Elena; ANDREOLI, Federico; MISHTO, Michele et al.Current pharmaceutical design (Print). 2013, Vol 19, Num 4, pp 702-718, issn 1381-6128, 17 p.Article

Identification of HIV Inhibitors Guided by Free Energy Perturbation CalculationsACEVEDO, Orlando; AMBROSE, Zandrea; FLAHERTY, Patrick T et al.Current pharmaceutical design (Print). 2012, Vol 18, Num 9, pp 1199-1216, issn 1381-6128, 18 p.Article

Progress in the Development of Matrix Metalloproteinase InhibitorsGUOGANG TU; WENFANG XU; HUIMING HUANG et al.Current medicinal chemistry. 2008, Vol 15, Num 14, pp 1388-1395, issn 0929-8673, 8 p.Article

Turning REST/NRSF Dysfunction in Huntington's Disease into a Pharmaceutical TargetRIGAMONTI, Dorotea; MUTTI, Cesare; ZUCCATO, Chiara et al.Current pharmaceutical design (Print). 2009, Vol 15, Num 34, pp 3958-3967, issn 1381-6128, 10 p.Article

Functional Group Dependence of Solute Partitioning to Various Locations within a DOPC Bilayer: A Comparison of Molecular Dynamics Simulations with ExperimentTEJWANI, Ravindra W; DAVIS, Malcolm E; ANDERSON, Bradley D et al.Journal of pharmaceutical sciences. 2011, Vol 100, Num 6, pp 2136-2146, issn 0022-3549, 11 p.Article

Synthesis, pharmacological evaluation and docking studies of N-(benzo[d]thiazol-2-yl)-2-(piperazin-1-yl)acetamide analogs as COX-2 inhibitorsNULGUMNALLI MANJUNATHAIAH RAGHAVENDRA; JYOTHSNA, Aitha; ALAPATI VENKATESWARA RAO et al.Bioorganic & medicinal chemistry letters (Print). 2012, Vol 22, Num 2, pp 820-823, issn 0960-894X, 4 p.Article

Three-dimensional quantitative structure—selectivity relationships analysis guided rational design of a highly selective ligand for the cannabinoid receptor 2BROGI, Simone; CORELLI, Federico; DI MARZO, Vincenzo et al.European journal of medicinal chemistry. 2011, Vol 46, Num 2, pp 547-555, issn 0223-5234, 9 p.Article

New PPARy ligands based on 2-hydroxy-1,4-naphthoquinone : Computer-aided design, synthesis, and receptor-binding studiesSUNDRIYAL, Sandeep; VISWANAD, Bhoomi; BHARATHY, Elumalai et al.Bioorganic & medicinal chemistry letters (Print). 2008, Vol 18, Num 11, pp 3192-3195, issn 0960-894X, 4 p.Article

Novel inhibitors of Mycobacterium tuberculosis dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmID) identified by virtual screeningYI WANG; HESS, Tamara Noelle; JONES, Victoria et al.Bioorganic & medicinal chemistry letters (Print). 2011, Vol 21, Num 23, pp 7064-7067, issn 0960-894X, 4 p.Article

Virtual screening application of a model of full-length HIV-1 integrase complexed with viral DNACHENZHONG LIAO; KARKI, Rajeshri G; MARCHAND, Christophe et al.Bioorganic & medicinal chemistry letters (Print). 2007, Vol 17, Num 19, pp 5361-5365, issn 0960-894X, 5 p.Article

Discovery of dimeric inhibitors by extension into the entrance channel of HIV-1 reverse transcriptaseEKKATI, Anil R; BOLLINI, Mariela; DOMAOAL, Robert A et al.Bioorganic & medicinal chemistry letters (Print). 2012, Vol 22, Num 4, pp 1565-1568, issn 0960-894X, 4 p.Article

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