6 research outputs found
Machine learning-, rule- and pharmacophore-based classification on the inhibition of P-glycoprotein and NorA
- Author
- Publication venue
- 'Informa UK Limited'
- Publication date
- Field of study
Deterministic Pharmacophore Detection Via Multiple Flexible Alignment of Drug-Like Molecules
- Author
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- 01/01/2007
- Field of study
Identification of Essential 2D and 3D Chemical Features for Discovery of the Novel Tubulin Polymerization Inhibitors
- Author
- Abdel Bar F.M.
- Ahsan M.J.
- Akamatsu M.
- Al-Najjar B.O.
- Ardakani A.
- Arnst K.
- Balaji B.
- Banerjee S.
- Bender A.
- Bhattacharjee A.K.
- Braga R.C.
- Brown R.D.
- Carlson R.O.
- Chen K.
- Chen Y.D.
- Downing K.H.
- Dror O.
- Dumontet C.
- Entezari Heravi Y.
- Farahani S.R.
- Farshid Hassanzadeh
- Fateme Azimi
- Fisher R.
- Flynn B.L.
- Fortin S.
- Gakh A.A.
- Ghasemi J.B.
- Gresely B.P.
- Guner O.F.
- Gupta A.K.
- Güner O.
- Hert J.
- Hojjat Sadeghi-Aliabadi
- Hour M-J.
- Hu L.
- Islam M.N.
- Jahan B. Ghasemi
- John S.
- Kachaeva M.V.
- Kamal A.
- Kamal A.
- Kamal A.
- Kandil S.
- Karki R.G.
- Ke Y-Y.
- Khan M.F.
- Kim N.D.
- Kline-Smith S.L.
- Klon A.E.
- Krovat E.M.
- Kumar G.B.
- Kumar N.P.
- Kurogi Y.
- La Regina G.
- Li Y-J.
- Lipinski C.A.
- Lipinski C.A.
- Lotfollah Saghaei
- Luciana Scotti
- Makhouri F.R.
- Makhouri F.R.
- Mangiatordi G.F.
- Marcus T. Scotti
- Metz J.T.
- Michaux C.
- Mohammad Mahdavi
- Momany F.A.
- Mustafa M.
- Oloff S.
- Orr G.A.
- Patel V.K.
- Peyrot V.
- Pirhadi S.
- Pirhadi S.
- Pirhadi S.
- Poptodorov K.
- Prathipati P.
- Purushottamachar P.
- Qian Y.
- Qian Y.
- Qin Y-J.
- Rastogi S.K.
- Ravelli R.B.
- Rogers D.
- Romagnoli R.
- Romagnoli R.
- Sakkiah S.
- Sayeed I.B.
- Schellhammer I.
- Schiff P.B.
- Shobeiri N.
- Singla A.K.
- Sirisoma N.
- Sorger P.K.
- Stefański T.
- Sun H-P.
- Vadivelan S.
- Veber D.F.
- Version D.S.
- Vogt M.
- Wang S-F.
- Wang Z.
- Wu G.
- Xia X.
- Yan J.
- Yang C-R.
- Yang L-L.
- Zaccagnini L.
- Zhai M.
- Zhang Y.
- Álvarez C.
- Publication venue
- 'Bentham Science Publishers Ltd.'
- Publication date
- Field of study
From the Explored to the Unexplored: Computer-Tailored Drug Design Attempts in the Discovery of Selective Caspase Inhibitors
- Author
- Abdel-Ilah L.
- Abdul R. Issahaku
- Ahmad K.
- Amber C.
- Barreyro F.J.
- Berendsen H.J.C.
- Bhattacharjee B.
- Bhunia S.S.
- Brandman R.
- Böhm H.J.
- Cade C.E.
- Cai S.X.
- Cao Q.
- Caporuscio F.
- Cerretti D.P.
- Chothia C.
- Christ F.
- Clement Agoni
- Colak A.
- Corbeil C.R.
- Cozza G.
- Creagh E.M.
- Das Choudhury J.
- Dastmalchi S.
- Drwal M.N.
- Ekert P.G.
- Endres M.
- Fisayo A. Olotu
- Flores J.
- Friesner R.A.
- Galluzzi L.
- Goto J.
- Gyrd-Hansen M.
- Güner O.F.
- Hajimahdi Z.
- Halgren T.A.
- Hardy J.A.
- Hoglen N.C.
- Huang J.
- Johari S.
- Jones G.
- Jöst C.
- Khan S.
- Khan S.
- Klopmand G.
- Krishna Deepak R.N.V.
- Kumalo H.M.
- Kumar S.
- Kumar S.P.
- Kurczab R.
- Langer T.
- Lawal M.
- Lazarova M.
- Lee D.
- Lee H.
- Lin J.H.
- Lonsdale R.
- Lopes P.E.M.
- Macalino S.J.Y.
- Mahmoud E.S. Soliman
- Malet G.
- Manuscript A.
- Matsuno K.
- McCall K.
- Mcilwain D.R.
- Medina E.A.
- Modeling M.
- Monticelli L.
- Morris G.M.
- Oberholzer C.
- Olotu F.
- Olotu F.A.
- Opeyemi S. Soremekun
- Ouyang X.
- Patel S.
- Pavelka K.
- Phillips J.C.
- Pockros P.J.
- Pol-Fachin L.
- Poreba M.
- Powers J.C.
- Prieto-Martínez F.D.
- Qing X.
- Ransford O. Kumi
- Rarey M.
- Roberts B.C.
- Rudolphi K.
- Ruiz-Torres V.
- Sadowski-Debbing K.
- Salomon-ferrer R.
- Sander T.
- Scarpino A.
- Scholz C.
- Schotte P.
- Schröder J.
- Sharma S.
- Smith A.J.T.
- St-Louis M.C.
- Stank A.
- Sulpizi M.
- Taylor R.C.
- Trott O.
- Van Drie J.H.
- Vanommeslaeghe K.
- Verma R.P.
- Vilar S.
- Walters J.
- Wang J.
- Wang Q.
- Waszkowycz B.
- Waszkowycz B.
- Weedbrook C.
- Wishart D.S.
- Wolber G.
- Wood D.J.
- Xu G.
- Yoshimori A.
- Zhou D.
- Zhu K.
- Publication venue
- 'Bentham Science Publishers Ltd.'
- Publication date
- Field of study
Virtual Screening Techniques in Drug Discovery: Review and Recent Applications
- Author
- Abel R.
- Baell J.B.
- Banegas-Luna A-J.
- Banerjee P.
- Bender A.
- Berman H.M.
- Berrhail F.
- Bohacek R.S.
- Bolhassani A.
- Braga R.C.
- Brown D.
- Brown R.D.
- Bunnage M.E.
- Carlos M.R. Sant'Anna
- Carolina G. Olanda
- Cereto-Massagué A.
- Cerqueira N.M.
- Chaudhary K.K.
- Chen J.H.
- Chen R.
- Chen Z.
- Cheng A.C.
- Cheng T.
- Cherkasov A.
- Chevillard F.
- Coleman R.G.
- Congreve M.
- Cummings M.D.
- da Matta C.B.
- Damm-Ganamet K.L.
- Danishuddin M.
- Danishuddin M.
- Dias R.
- Drwal M.N.
- Duan J.
- Eckert H.
- Empereur-Mot C.
- Ertl P.
- Ewing T.J.A.
- Fourches D.
- Fourches D.
- Fourches D.
- Fradera X.
- Fraga C.A.
- Fu Y.
- Gao Z.
- Gaulton A.
- Gertrudes J.C.
- Giangreco I.
- Glem R.C.
- Good A.C.
- Goodsell D.S.
- Grosdidier A.
- Guido C.A.
- Güner O.F.
- Günther S.
- Hall R.J.
- Hann M.M.
- Harold H. Fokoue
- Hetényi C.
- Hetényi C.
- Huang H.
- Huggins D.J.
- Hughes J.D.
- Hähnke V.D.
- Irwin J.J.
- Jacobson M.P.
- Jacobson M.P.
- Jain A.N.
- Jansen J.M.
- Jones G.
- Kanehisa M.
- Kaserer T.
- Kawabata T.
- Keiser M.J.
- Kellenberger E.
- Khan F.I.
- Kim S.
- Kim S.
- Kim S.
- Kitchen D.B.
- Kooistra A.J.
- Kramer B.
- Kumar B.V.
- Kumar Mishra S.
- Kuntz I.D.
- Lagunin A.
- Lavecchia A.
- Lewell X.Q.
- Lima A.N.
- Lionta E.
- Lipinski C.A.
- Liu M.
- Liu S.
- Luo M.
- Lyu J.
- Maggiora G.
- McClish D.K.
- Melo-Filho C.C.
- Mignani S.
- Mirza S.B.
- Morgan S.
- Moser D.
- Moser D.
- Muegge I.
- Mysinger M.M.
- Neves B.J.
- Ngan C.H.
- Nikolic K.
- Ogata K.
- Pagadala N.S.
- Pang Y.P.
- Papadatos G.
- Paul S.M.
- Pierce B.
- Pilon A.C.
- Qing X-Y.
- Raman E.P.
- Riniker S.
- Riniker S.
- Rodrigues R.P.
- Rognan D.
- Ruddigkeit L.
- Rueda M.
- Schneider G.
- Scior T.
- Seco J.
- Seifert M.H.J.
- Sheisi F.L. da Silva Rocha
- Sheridan R.P.
- Singh M.
- Siramshetty V.B.
- Sterling T.
- Takeda-Shitaka M.
- Teague S.J.
- Thorne N.
- Thota S.
- Triballeau N.
- Truchon J.F.
- Ursu O.
- van de Waterbeemd H.
- Veerasamy R.
- Voigt J.H.
- von Grotthuss M.
- Vuorinen A.
- Vuorinen A.
- Waltenberger B.
- Walters W.P.
- Wang J.
- Wang R.
- Wang Y.
- Warszycki D.
- Waszkowycz B.
- Weidlich I.E.
- Wermuth C.G.
- Whitty A.
- Williams A.J.
- Williams A.J.
- Wishart D.S.
- Wolber G.
- Xu X.
- Yang H.
- Yao T.T.
- Ye H.
- Zakharov A.V.
- Zheng W.
- Publication venue
- 'Bentham Science Publishers Ltd.'
- Publication date
- Field of study