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A prospective compound screening contest identified broader inhibitors for Sirtuin 1.

Autor: Chiba S; Education Academy of Computational Life Sciences (ACLS), Tokyo Institute of Technology, 4259 Nagatsutacho, Midori-ku, Yokohama, 226-8501, Japan.; Advanced Computational Drug Discovery Unit, Tokyo Institute of Technology, J3-23-4259 Nagatsutacho, Midori-ku, Yokohama, 226-8501, Japan.; RIKEN Medical Sciences Innovation Hub Program, 1-7-22, Suehiro-cho, Tsurumi-ku, Yokohama, 230-0045, Japan., Ohue M; Department of Computer Science, School of Computing, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo, 152-8550, Japan.; Advanced Computational Drug Discovery Unit, Tokyo Institute of Technology, J3-23-4259 Nagatsutacho, Midori-ku, Yokohama, 226-8501, Japan., Gryniukova A; Bienta/Enamine Ltd., 78 Chervonotkatska Street 78, Kyiv, 02094, Ukraine., Borysko P; Bienta/Enamine Ltd., 78 Chervonotkatska Street 78, Kyiv, 02094, Ukraine., Zozulya S; Bienta/Enamine Ltd., 78 Chervonotkatska Street 78, Kyiv, 02094, Ukraine., Yasuo N; Department of Computer Science, School of Computing, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo, 152-8550, Japan.; Research Fellow of the Japan Society for the Promotion of Science DC1, Tokyo, Japan., Yoshino R; Education Academy of Computational Life Sciences (ACLS), Tokyo Institute of Technology, 4259 Nagatsutacho, Midori-ku, Yokohama, 226-8501, Japan.; Advanced Computational Drug Discovery Unit, Tokyo Institute of Technology, J3-23-4259 Nagatsutacho, Midori-ku, Yokohama, 226-8501, Japan.; Division of Biomedical Science, Faculty of Medicine, University of Tsukuba, 1-1-1 Tennodai, Tsukuba-shi, Ibaraki, 305-8575, Japan., Ikeda K; Faculty of Pharmacy, Keio University, 1-5-30 Shibakoen, Minato-ku, Tokyo, 105-8512, Japan., Shin WH; Department of Biological Science, Purdue University, West Lafayette, Indiana, 47907, USA., Kihara D; Department of Biological Science, Purdue University, West Lafayette, Indiana, 47907, USA.; Department of Computer Science, Purdue University, Indiana, 47907, USA., Iwadate M; Department of Biological Sciences, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo, 112-8551, Japan., Umeyama H; Department of Biological Sciences, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo, 112-8551, Japan., Ichikawa T; Department of Biological Sciences, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo, 112-8551, Japan., Teramoto R; Discovery technology research department, Research division, Chugai Pharmaceutical Co.,Ltd., 200, Kajiwara, Kamakura, Kanagawa, 247-8530, Japan., Hsin KY; Okinawa Institute of Science and Technology Graduate University, 1919-1 Tancha, Onna-son, Kunigami, Okinawa, 904-0495, Japan., Gupta V; The Systems Biology Research Institute, Falcon Building 5F, 5-6-9 Shirokanedai, Minato-ku, Tokyo, 108-0071, Japan., Kitano H; Okinawa Institute of Science and Technology Graduate University, 1919-1 Tancha, Onna-son, Kunigami, Okinawa, 904-0495, Japan.; The Systems Biology Research Institute, Falcon Building 5F, 5-6-9 Shirokanedai, Minato-ku, Tokyo, 108-0071, Japan.; Center for Integrative Medical Sciences, RIKEN, 1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama City, Kanagawa, 230-0045, Japan., Sakamoto M; Graduate School of Humanities and Sciences, Ochanomizu University, 2-1-1 Otsuka, Bunkyo-ku, Tokyo, 112-8610, Japan., Higuchi A; Department of Computational Biology and Medical Sciences, Graduate School of Frontier Sciences, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo, 113-8654, Japan., Miura N; Graduate School of Humanities and Sciences, Ochanomizu University, 2-1-1 Otsuka, Bunkyo-ku, Tokyo, 112-8610, Japan., Yura K; Graduate School of Humanities and Sciences, Ochanomizu University, 2-1-1 Otsuka, Bunkyo-ku, Tokyo, 112-8610, Japan.; Center for Simulation Science and Informational Biology, Ochanomizu University, 2-1-1 Otsuka, Bunkyo-ku, Tokyo, 112-8610, Japan.; School of Advanced Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo, 169-8555, Japan., Mochizuki M; Education Academy of Computational Life Sciences (ACLS), Tokyo Institute of Technology, 4259 Nagatsutacho, Midori-ku, Yokohama, 226-8501, Japan.; IMSBIO Co., Ltd., Level 6 OWL TOWER, 4-21-1 Higashi-Ikebukuro, Toshima-ku, Tokyo, 170-0013, Japan., Ramakrishnan C; Department of Biotechnology, Bhupat Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai, 600036, Tamilnadu, India., Thangakani AM; Department of Biotechnology, Bhupat Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai, 600036, Tamilnadu, India., Velmurugan D; CAS in Crystallography and Biophysics and Bioinformatics Facility, University of Madras, Chennai, 600025, Tamilnadu, India., Gromiha MM; Advanced Computational Drug Discovery Unit, Tokyo Institute of Technology, J3-23-4259 Nagatsutacho, Midori-ku, Yokohama, 226-8501, Japan.; Department of Biotechnology, Bhupat Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai, 600036, Tamilnadu, India., Nakane I; Okazaki City Hall, 2-9 Juo-cho Okazaki, Aichi, 444-8601, Japan., Uchida N; IQVIA Services Japan K.K., 4-10-18 Takanawa Minato-ku, Tokyo, 108-0074, Japan., Hakariya H; Institute for Chemical Research, Kyoto University, Uji, Kyoto, 611-0011, Japan.; Training Program of Leaders for Integrated Medical System (LIMS), Kyoto University, Sakyo-ku, Kyoto, 606-8501, Japan., Tan M; Department of Chemistry & Biotechnology, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo, 113-8654, Japan., Nakamura HK; Biomodeling Research Co., Ltd., 1-704-2 Uedanishi, Tenpaku-ku, Nagoya, 468-0058, Japan., Suzuki SD; Department of Computer Science, School of Computing, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo, 152-8550, Japan., Ito T; Faculty of Medicine, Akita University, 1-1-1 Hondo, Akita, 010-8543, Japan., Kawatani M; Faculty of Medicine, Akita University, 1-1-1 Hondo, Akita, 010-8543, Japan., Kudoh K; Faculty of Medicine, Akita University, 1-1-1 Hondo, Akita, 010-8543, Japan., Takashina S; Faculty of Medicine, Akita University, 1-1-1 Hondo, Akita, 010-8543, Japan., Yamamoto KZ; Isotope Science Center, The University of Tokyo, 2-11- 16, Yayoi, Bunkyo-ku, Tokyo, 113-0032, Japan., Moriwaki Y; Department of Biotechnology, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, Tokyo, 113-8657, Japan., Oda K; Google Japan Inc., 6-10-1 Roppongi, Minato-ku, Tokyo, 106-6126, Japan.; Otemachi Bldg. 3F, 1-6-1, Preferred Networks, Otemachi, Chiyoda-ku, Tokyo, 100-0004, Japan., Kobayashi D; Department of Computational Science and Engineering, Nagoya University, Furocho, Chikusa-ku, Nagoya, 464-8603, Japan., Okuno T; Tosei General Hospital, 160 Nishioiwake-cho, Seto, Aichi, 489-8642, Japan., Minami S; Department of Complex Systems Science, Graduate School of Information Science, Nagoya University, Furocho, Chikusa, Nagoya, 464-8601, Japan., Chikenji G; Department of Computational Science and Engineering, Nagoya University, Furocho, Chikusa-ku, Nagoya, 464-8603, Japan., Prathipati P; National Institutes for Biomedical Innovation, Health and Nutrition, Osaka, 567-0085, Japan., Nagao C; National Institutes for Biomedical Innovation, Health and Nutrition, Osaka, 567-0085, Japan., Mohsen A; National Institutes for Biomedical Innovation, Health and Nutrition, Osaka, 567-0085, Japan., Ito M; National Institutes for Biomedical Innovation, Health and Nutrition, Osaka, 567-0085, Japan., Mizuguchi K; National Institutes for Biomedical Innovation, Health and Nutrition, Osaka, 567-0085, Japan., Honma T; Department of Computer Science, School of Computing, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo, 152-8550, Japan.; Advanced Computational Drug Discovery Unit, Tokyo Institute of Technology, J3-23-4259 Nagatsutacho, Midori-ku, Yokohama, 226-8501, Japan.; RIKEN Center for Biosystems Dynamic Research, 1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama, Kanagawa, 230-0045, Japan., Ishida T; Education Academy of Computational Life Sciences (ACLS), Tokyo Institute of Technology, 4259 Nagatsutacho, Midori-ku, Yokohama, 226-8501, Japan.; Department of Computer Science, School of Computing, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo, 152-8550, Japan.; Advanced Computational Drug Discovery Unit, Tokyo Institute of Technology, J3-23-4259 Nagatsutacho, Midori-ku, Yokohama, 226-8501, Japan., Hirokawa T; Molecular Profiling Research Center for Drug Discovery, National Institute of Advanced Industrial Science and Technology, 2-4-7 Aomi, Koto-ku, Tokyo, 135-0064, Japan.; Division of Biomedical Science, Faculty of Medicine, University of Tsukuba, 1-1-1 Tennodai, Tsukuba-shi, Ibaraki, 305-8575, Japan.; Initiative for Parallel Bioinformatics, Level 14 Hibiya Central Building, 1-2-9 Nishi-Shimbashi Minato-Ku, Tokyo, 105-0003, Japan., Akiyama Y; Education Academy of Computational Life Sciences (ACLS), Tokyo Institute of Technology, 4259 Nagatsutacho, Midori-ku, Yokohama, 226-8501, Japan.; Department of Computer Science, School of Computing, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo, 152-8550, Japan.; Advanced Computational Drug Discovery Unit, Tokyo Institute of Technology, J3-23-4259 Nagatsutacho, Midori-ku, Yokohama, 226-8501, Japan.; Molecular Profiling Research Center for Drug Discovery, National Institute of Advanced Industrial Science and Technology, 2-4-7 Aomi, Koto-ku, Tokyo, 135-0064, Japan.; Initiative for Parallel Bioinformatics, Level 14 Hibiya Central Building, 1-2-9 Nishi-Shimbashi Minato-Ku, Tokyo, 105-0003, Japan., Sekijima M; Education Academy of Computational Life Sciences (ACLS), Tokyo Institute of Technology, 4259 Nagatsutacho, Midori-ku, Yokohama, 226-8501, Japan. sekijima@c.titech.ac.jp.; Department of Computer Science, School of Computing, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo, 152-8550, Japan. sekijima@c.titech.ac.jp.; Advanced Computational Drug Discovery Unit, Tokyo Institute of Technology, J3-23-4259 Nagatsutacho, Midori-ku, Yokohama, 226-8501, Japan. sekijima@c.titech.ac.jp.; Initiative for Parallel Bioinformatics, Level 14 Hibiya Central Building, 1-2-9 Nishi-Shimbashi Minato-Ku, Tokyo, 105-0003, Japan. sekijima@c.titech.ac.jp.

Publikováno v: Scientific reports [Sci Rep] 2019 Dec 20; Vol. 9 (1), pp. 19585. Date of Electronic Publication: 2019 Dec 20.

PDBparam: Online Resource for Computing Structural Parameters of Proteins.

Autor: Nagarajan R; Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai, India., Archana A; Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai, India., Thangakani AM; CAS in Crystallography and Biophysics, University of Madras, Chennai, India.; Bioinformatics Infrastructure Facility, University of Madras, Chennai, India., Jemimah S; Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai, India., Velmurugan D; CAS in Crystallography and Biophysics, University of Madras, Chennai, India.; Bioinformatics Infrastructure Facility, University of Madras, Chennai, India., Gromiha MM; Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai, India.

Publikováno v: Bioinformatics and biology insights [Bioinform Biol Insights] 2016 Jun 14; Vol. 10, pp. 73-80. Date of Electronic Publication: 2016 Jun 14 (Print Publication: 2016).

Autoimmune Responses to Soluble Aggregates of Amyloidogenic Proteins Involved in Neurodegenerative Diseases: Overlapping Aggregation Prone and Autoimmunogenic regions.

Autor: Kumar S; Biotherapeutics Pharmaceutical Sciences, Pfizer Inc., 700 Chesterfield Parkway West, Chesterfield MO 63017, USA., Thangakani AM; Center for Advanced Studies in Crystallography and Biophysics and Bioinformatics Infrastructure Facility, University of Madras, Chennai 600025, India., Nagarajan R; Department of Biotechnology, Bhupat Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai 600036, India., Singh SK; Biotherapeutics Pharmaceutical Sciences, Pfizer Inc., 700 Chesterfield Parkway West, Chesterfield MO 63017, USA., Velmurugan D; Center for Advanced Studies in Crystallography and Biophysics and Bioinformatics Infrastructure Facility, University of Madras, Chennai 600025, India., Gromiha MM; Department of Biotechnology, Bhupat Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai 600036, India.

Publikováno v: Scientific reports [Sci Rep] 2016 Feb 29; Vol. 6, pp. 22258. Date of Electronic Publication: 2016 Feb 29.

GAP: towards almost 100 percent prediction for β-strand-mediated aggregating peptides with distinct morphologies.

Autor: Thangakani AM; Department of Crystallography and Biophysics, University of Madras, Chennai 600025, India, Biotherapeutics Pharmaceutical Sciences, Pfizer Inc., Chesterfield, MO 63017, USA and Department of Biotechnology, Indian Institute of Technology Madras, Chennai 600036, India., Kumar S; Department of Crystallography and Biophysics, University of Madras, Chennai 600025, India, Biotherapeutics Pharmaceutical Sciences, Pfizer Inc., Chesterfield, MO 63017, USA and Department of Biotechnology, Indian Institute of Technology Madras, Chennai 600036, India., Nagarajan R; Department of Crystallography and Biophysics, University of Madras, Chennai 600025, India, Biotherapeutics Pharmaceutical Sciences, Pfizer Inc., Chesterfield, MO 63017, USA and Department of Biotechnology, Indian Institute of Technology Madras, Chennai 600036, India., Velmurugan D; Department of Crystallography and Biophysics, University of Madras, Chennai 600025, India, Biotherapeutics Pharmaceutical Sciences, Pfizer Inc., Chesterfield, MO 63017, USA and Department of Biotechnology, Indian Institute of Technology Madras, Chennai 600036, India., Gromiha MM; Department of Crystallography and Biophysics, University of Madras, Chennai 600025, India, Biotherapeutics Pharmaceutical Sciences, Pfizer Inc., Chesterfield, MO 63017, USA and Department of Biotechnology, Indian Institute of Technology Madras, Chennai 600036, India.

Publikováno v: Bioinformatics (Oxford, England) [Bioinformatics] 2014 Jul 15; Vol. 30 (14), pp. 1983-90. Date of Electronic Publication: 2014 Mar 28.