The multiple-minima problem in protein folding

Autor: HA Scheraga

Publikováno v: Journal de Chimie Physique. 88:2522-2522

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::db1b37e7289f877fa826d5654ac17588
https://doi.org/10.1051/jcp/1991882522

Probing Protein Aggregation Using the Coarse-Grained UNRES Force Field.

Autor: Rojas AV; Schrodinger Inc., 120 West 45th Street New York, New York, 10036, NY, USA., Maisuradze GG; Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, 14853-1301, NY, USA., Scheraga HA; Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, 14853-1301, NY, USA., Liwo A; Faculty of Chemistry, University of Gdańsk, Wita Stwosza 63, Gdańsk, 80-308, Poland. adam.liwo@ug.edu.pl.

Publikováno v: Methods in molecular biology (Clifton, N.J.) [Methods Mol Biol] 2022; Vol. 2340, pp. 79-104.

Investigation of Phosphorylation-Induced Folding of an Intrinsically Disordered Protein by Coarse-Grained Molecular Dynamics.

Autor: Sieradzan AK; Faculty of Chemistry, University of Gdansk, Wita Stwosza 63, 80-308 Gdansk, Poland., Korneev A; Pacific Quantum Center, Far Eastern Federal University, 10 Ajax Bay, 690922 Russky Island, Vladivostok, Russia., Begun A; Pacific Quantum Center, Far Eastern Federal University, 10 Ajax Bay, 690922 Russky Island, Vladivostok, Russia., Kachlishvili K; Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853-1301, United States., Scheraga HA; Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853-1301, United States., Molochkov A; Pacific Quantum Center, Far Eastern Federal University, 10 Ajax Bay, 690922 Russky Island, Vladivostok, Russia., Senet P; Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853-1301, United States.; Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR 6303 CNRS-Université de Bourgogne Franche-Comté, 9 Av. A. Savary, BP 47 870, F-21078 Dijon Cedex, France., Niemi AJ; Pacific Quantum Center, Far Eastern Federal University, 10 Ajax Bay, 690922 Russky Island, Vladivostok, Russia.; Laboratoire de Mathematiques et Physique Theorique, CNRS UMR 6083, Fédération Denis Poisson, Université de Tours, Parc de Grandmont, F37200 Tours, France.; Nordita, Stockholm University and Uppsala University, Roslagstullsbacken 23, SE-106 91 Stockholm, Sweden.; School of Physics, Beijing Institute of Technology, Beijing 100081, P.R. China., Maisuradze GG; Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853-1301, United States.

Publikováno v: Journal of chemical theory and computation [J Chem Theory Comput] 2021 May 11; Vol. 17 (5), pp. 3203-3220. Date of Electronic Publication: 2021 Apr 28.

Curvature and Torsion of Protein Main Chain as Local Order Parameters of Protein Unfolding.

Autor: Grassein P; Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR 6303, CNRS, Université de Bourgogne Franche-Comté, 9 Av. A. Savary, BP 47 870, F-21078 Cedex Dijon, France., Delarue P; Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR 6303, CNRS, Université de Bourgogne Franche-Comté, 9 Av. A. Savary, BP 47 870, F-21078 Cedex Dijon, France., Nicolaï A; Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR 6303, CNRS, Université de Bourgogne Franche-Comté, 9 Av. A. Savary, BP 47 870, F-21078 Cedex Dijon, France., Neiers F; Centre des Sciences du Goût et de l'Alimentation (CSGA), INRA, CNRS, Université de Bourgogne Franche-Comté, Dijon, France., Scheraga HA; Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853-1301, United States., Maisuradze GG; Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853-1301, United States., Senet P; Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR 6303, CNRS, Université de Bourgogne Franche-Comté, 9 Av. A. Savary, BP 47 870, F-21078 Cedex Dijon, France.; Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853-1301, United States.

Publikováno v: The journal of physical chemistry. B [J Phys Chem B] 2020 Jun 04; Vol. 124 (22), pp. 4391-4398. Date of Electronic Publication: 2020 May 24.

PMFF: Development of a Physics-Based Molecular Force Field for Protein Simulation and Ligand Docking.

Autor: Hwang SB; Yonsei University , Department of Biotechnology , 50 Yonsei-ro , Seodaemun-gu, Seoul KR 120-479 , Republic of Korea., Lee CJ; Dotmatic , Ace Gwanggyo Tower 1, 17 Daehak 4-Ro , Yeongtong-gu, Suwon , Gyeonggido 16226 , Republic of Korea., Lee S; Molecular Design Team, New Drug Development Center , Daegu- Gyeongbuk Medical Innovation Foundation (DGMIF) , 41061 Daegu City , Republic of Korea., Ma S; Xtalpi-AI Research Center , Xtalpi Inc. , 1500-1, Hailong Building Z-Park , Bejing , China 100090., Kang YM; Korea Research Institute of Chemical Technology, Drug Information Platform Center , 141, Gajeong-ro , Yuseong-gu, Daejon 34114 , Republic of Korea., Cho KH; Department of Bioinformatics , Soongsil University , Seoul 156-743 , Republic of Korea., Kim SY; School of Liberal Arts Education (Chemistry), College of Liberal Arts and Cross-Disciplinary Studies , University of Seoul , Seoul 02504 , Republic of Korea., Kwon OY; Wooreebio Institute , 79 Seonggok-Ro , Danwon-Ku, Ansan-si 15409 , Republic of Korea., Yoon CN; Department of Neuroscience , Korea University of Science and Technology , Seoul 02792 , Republic of Korea., Kang YK; Department of Chemistry , Chungbuk National University , Chungdae-ro 1 , Seowon-gu, Cheongju , Chungbuk 28644 , Republic of Korea., Yoon JH; Research Center, Pharos I&BT Co., Ltd. , 1407 & 1408, 38, Heungan-daero 427beon-gil , Dongan-gu, Anyang 14059 , Republic of Korea., Nam KY; Research Center, Pharos I&BT Co., Ltd. , 1407 & 1408, 38, Heungan-daero 427beon-gil , Dongan-gu, Anyang 14059 , Republic of Korea., Kim SG; Korea Biopharm Co., LTD. , #C-430 Sigma 2 Office B/D, 164 Tancheonsang-ro , Bundang-gu, Seongnam-si 13631 , Republic of Korea., In Y; Vovi C&E Co. Ltd. , 803-ho, 2497, Nambusunhwan-ro , Seocho-gu, Seoul 06724 , Republic of Korea., Chai HH; National institute of animal science , ReDA, 1500, Kongjwipatjwi-ro , Iseo-myeon, Wanju-gun , Jeollabuk-do 55365 , Republic of Korea., Acree WE Jr; Department of Chemistry , University of North Texas , 1155 Union Circle Drive #305070 , Denton , Texas 76230-5017 , United States., Grant JA; Baker Laboratory of Chemistry and Chemical Biology , Cornell University , Ithaca , New York 14853-1301 , United States., Gibson KD; Baker Laboratory of Chemistry and Chemical Biology , Cornell University , Ithaca , New York 14853-1301 , United States., Jhon MS; Baker Laboratory of Chemistry and Chemical Biology , Cornell University , Ithaca , New York 14853-1301 , United States., Scheraga HA; Baker Laboratory of Chemistry and Chemical Biology , Cornell University , Ithaca , New York 14853-1301 , United States., No KT; Yonsei University , Department of Biotechnology , 50 Yonsei-ro , Seodaemun-gu, Seoul KR 120-479 , Republic of Korea.; Bioinformatics & Molecular Design Research Center , 50 Yonsei-ro , Seodaemun-gu, Seoul KR 120-479 , Republic of Korea.

Publikováno v: The journal of physical chemistry. B [J Phys Chem B] 2020 Feb 13; Vol. 124 (6), pp. 974-989. Date of Electronic Publication: 2020 Jan 29.