4 research outputs found
Combined Virtual Screening, DFT Calculations and Molecular Dynamics Simulations to Discovery of Potent MMP-9 Inhibitors
- Author
- Abbasi M.
- Ara A.
- Ara A.
- Bai X.
- Cosconati S.
- David L.
- Dennington R.
- Eckhard U.
- Ferlay J.
- Ferreira L.
- Frisch M.J.
- Guedes I.A.
- Hafezeh Salehabadi
- Hamed Bahrami
- Irwin J.J.
- Jiang W.G.
- Klebe G.
- Koes D.R.
- Leelananda S.P.
- Liu Z.
- Makarewicz T.
- MareÄŤko I.
- Massoud Amanlou
- Mehner C.
- Meng X-Y.
- Morris G.M.
- Morris G.M.
- Ndinguri M.W.
- Ou-Yang S-s.
- Peters M.B.
- Pronk S.
- Rao S.N.
- Salehabadi H.
- Schuttelkopf A.W.
- Shirgahi-Talari F.
- Siegel R.L.
- Srivastava P.
- Søndergaard C.R.
- van Zijl F.
- Wang J.
- Wolber G.
- Yamamoto D.
- Zahra Nazari
- Publication venue
- 'Bentham Science Publishers Ltd.'
- Publication date
- Field of study
No full textCritical Insight into the Design of PPAR-γ Agonists by Virtual Screening Techniques
- Author
- Agrawal R.
- Ai N.
- Bajorath J.
- Chandra V.
- Chen K-C.
- Cheng T.
- de Groot J.C.
- Deepanwita M.
- Dilly S.J.
- Dixit V.A.
- El-Houri R.B.
- Encinar J.A.
- Ferreira L.G.
- Gaddipati R.
- Grygiel-GĂłrniak B.
- Guasch L.
- Guasch L.
- Hassan A. Alhazmi
- Kaserer T.
- Kovács D.
- Leelananda S.P.
- Lu I-L.
- Ma Y.
- Mannhold R.
- Medina-Franco J.L.
- Meng X-Y.
- Mohammed Al Bratty
- Montanari R.
- Muralikumar S.
- Muñoz-Gutierrez C.
- Nabuurs S.B.
- Nazreen S.
- Nazreen S.
- Neelaveni Thangavel
- Peragovics A.G.
- Priyadarsini R.
- Sadique Akhtar Javed
- Schwarz R.
- Schwarz R.
- Sharma V.
- Sliwoski G.
- Sohn Y-S.
- Thangavel N.
- Tsakovska I.
- Wang L.
- Wang X-J.
- Waquar Ahsan
- Wieder M.
- Yang S-Y.
- Yap C.W.
- Publication venue
- 'Bentham Science Publishers Ltd.'
- Publication date
- Field of study
No full textArtificial intelligence in drug design
- Author
- A. Bender
- A. Dudek
- A. Kadurin
- A. Kadurin
- A. Lavecchia
- A. Lusci
- A. Martin-Montalvo
- A. Mauri
- A. Mayr
- A. Mullard
- A.P. Higueruelo
- B. Chen
- B. Ramsundar
- B. Sanchez-Lengeling
- C. Angermueller
- C. Cortes
- C. Hansch
- C. Wang
- C.M. Labbé
- C.W. Coley
- C.W. Coley
- C.W. Yap
- C.Y. Liew
- D. Dobchev
- D. Duvenaud
- D. Rogers
- D. Schneidman-Duhovny
- D. Szklarczyk
- D. Vohora
- D. Weininger
- D.E. Scott
- D.S. Cao
- D.S.M. Sim
- D.S.M. Sim
- Danishuddin
- Dong Lu
- E. Cukuroglu
- E. Valkov
- E.G. Smith
- E.X. Esposito
- F. Bai
- F. Cabreiro
- F. Falchi
- F. Lombardo
- F. Lombardo
- F.P. Guengerich
- Fei Li
- Feisheng Zhong
- G. Subramanian
- G. Urban
- G.B. Goh
- G.E. Dahl
- H. Altae-Tran
- H. Li
- Hualiang Jiang
- I. Goodfellow
- I. Hubatsch
- I. Sushko
- I. Wallach
- I.A. Vakser
- J. Jimenez
- J. Ma
- J. Melville
- J. Schmidhuber
- J. Wang
- J. Xing
- J. Zaretzki
- J.A. DiMasi
- J.C. Pereira
- J.L. Durant
- J.R. Turner
- J.S. Mason
- Jihui Zhao
- Jing Xing
- K.H. Kim
- K.Z. Myint
- Kaixian Chen
- L.C. Xue
- M. Hartenfeller
- M. Hassan Baig
- M. Lotfi Shahreza
- M. Olivecrona
- M. Spencer
- M. WĂłjcikowski
- M.A. Khamis
- M.H.S. Segler
- M.K. Matlock
- M.P. Repasky
- Mingyue Zheng
- N. Tishby
- N.L. Dang
- N.M. O’Boyle
- N.N. Wang
- O. Vinyals
- P. Andras
- P. Artursson
- P. Voosen
- P. Willett
- Q.C. Zhang
- Q.U. Ain
- R. Abagyan
- R. Chen
- R. GĂłmez-Bombarelli
- R. Santos
- R. Todeschini
- R.A. Copeland
- R.A. Friesner
- R.H. Shoemaker
- R.P. Sheridan
- S. Kearnes
- S. Kearnes
- S. Klaeger
- S. Maheshwari
- S. Sahoo
- S. Tian
- S. Wang
- S.J. Pan
- S.L. Kinnings
- S.M. Free
- S.P. Leelananda
- S.R. Heller
- S.Y. Huang
- S.Y. Huang
- T. Du
- T. Talele
- T. Unterthiner
- T.T. Ashburn
- V. Mnih
- W. Duch
- W. Haes De
- W. Jin
- W. Wang
- W.H. Shin
- X. Ma
- X. Ning
- Xiaohong Liu
- Xiaolong Wu
- Xiaomin Luo
- Xiaoqin Tan
- Xutong Li
- Y. LeCun
- Y. Luo
- Y. Pu
- Y. Xu
- Y. Yamanishi
- Y.C. Chen
- Z. Wu
- Z. Zsoldos
- Zhaojun Li
- Zhaoping Xiong
- Zunyun Fu
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textApplications of Molecular Simulation in the Discovery of Antituberculosis Drugs: A Review
- Author
- Abdel-Aziz H.A.
- Abdelrahman M.A.
- Adcock S.A.
- Aditi S.
- Andries K.
- Barry C.E.
- Batiza A.F.
- Bellera C.L.
- Belánová M.
- Bentley R.
- Berendsen H.J.C.
- Berendsen H.J.C.
- Blumberg H.M.
- Brooks B.R.
- Brown C.D.
- Butler J.R.
- Caminero J.A.
- Case D.A.
- Cheatham T.E.
- Cornell W.D.
- Cramer R.D.
- Crippen G.M.
- De Lorenzo S.
- Dewar M.J.S.
- Dheda K.
- Diel R.
- Doman T.N.
- Dover L.G.
- Dye C.
- Elmore D.E.
- Escalante P.
- Franke M.F.
- Gang He
- Gao H.
- Garg A.
- Gilbert I.H.
- Goodsell D.S.
- Gourley D.G.
- Guidotti G.
- Hamill O.P.
- Hara G.L.
- Hariharan P.
- Head-Gordon M.
- Hershkovitz I.
- Hess B.
- Hong X.
- Hopfinger A.J.
- Hu-Bing Shi
- Hua Wan
- Humphrey W.
- Jacobson K.R.
- Jamelah S.A.Y.
- Janoš P.
- Jian-Ping Hu
- Jie Y.
- Jones G.
- Jorgensen W.L.
- Kim K.H.
- Klabunde T.
- Kleanthous C.
- Kloda A.
- Konno K.
- Kremer L.
- Kubinyi H.
- Kuheli D.
- Kumar A.
- Kumar D.
- Kumar V.
- Kurogi Y.
- Lawan N.
- Leach A.R.
- Lee A.G.
- Lee S.H.
- Leelananda S.P.
- Levina N.
- Li Liang
- Luty B.A.
- Macalino S.J.
- Magantia L.
- Marques M.R.
- Masand V.H.
- Materi W.
- Mayo S.L.
- McCammon J.A.
- Mccammon J.A.
- Meng X.Y.
- Migliori G.B.
- Mitnick C.D.
- Morris G.M.
- Nakamaru Y.
- Nayyar A.
- Noble M.
- Nusrath Unissa A.
- Ou-Yang S.S.
- Paiva A.M.
- Pan Q.
- Parr R.G.
- Pauli I.
- Poulin M.B.
- Qiang Zou
- Rajendran V.
- Rarey M.
- Ren J.X.
- Reyes Y.I.A.
- Ribeiro-Claro P.J.A.
- Rose N.L.
- Ryckaert J.P.
- Sakula A.
- Saxena S.
- Schaaf S.
- Schatz A.
- Schramm V.L.
- Scott W.R.
- Segura-Cabrera A.
- Senn H.M.
- Shamaei M.
- Shan Chang
- Sharma P.
- Shi W.
- Shuai Z.
- Shukla H.
- Shukla R.
- Siegbahn P.E.M.
- Singh N.
- Singh S.
- Sliwoski G.
- Smith K.C.
- Spencer R.H.
- Stewart J.J.P.
- Stover C.K.
- Sukharev S.I.
- Supriya H.
- Supuran C.T.
- Supuran C.T.
- Svensson M.
- Tao Xie
- Tolufashe G.F.
- Tuckerman M.E.
- Van Der Spoel D.
- Verma J.
- Warshel A.
- Wassersug J.D.
- Wax R.
- Wei Liu
- White P.J.
- Wood J.M.
- Xiao Yan
- Xiao-Jun Gou
- Xin Sun
- Xin-Yu Liu
- Ya Gan
- Yamatsugu K.
- Zhang H.
- Zhang J.L.
- Zhang Y.
- Zheng Shi
- Zhi-Xiang Wu
- Zumla A.
- Publication venue
- 'Bentham Science Publishers Ltd.'
- Publication date
- Field of study
No full text
