Zobrazeno 1 - 10
of 1 371 106
pro vyhledávání: '"CHEMISTRY, PHYSICAL"'
Autor:
Bebensee F; ChemPhysChem, co-owned and supported by Chemistry Europe, Wiley-VCH, Boschstrasse 12, 69469, Weinheim, Germany., Pratim Pal P; ChemPhysChem, co-owned and supported by Chemistry Europe, Wiley-VCH, Boschstrasse 12, 69469, Weinheim, Germany., Welter K; ChemPhysChem, co-owned and supported by Chemistry Europe, Wiley-VCH, Boschstrasse 12, 69469, Weinheim, Germany.
Publikováno v:
Chemphyschem : a European journal of chemical physics and physical chemistry [Chemphyschem] 2023 Jan 03; Vol. 24 (1), pp. e202200913.
Autor:
Nordenskiöld L; School of Biological Sciences, Nanyang Technological University, Singapore 637551, Singapore. Electronic address: larsnor@ntu.edu.sg., Shi X; Department of Biology, Shenzhen MSU-BIT University, Shenzhen 518172, China. Electronic address: xyshi@smbu.edu.cn., Korolev N; School of Biological Sciences, Nanyang Technological University, Singapore 637551, Singapore., Zhao L; Department of Biology, Shenzhen MSU-BIT University, Shenzhen 518172, China., Zhai Z; Department of Biology, Shenzhen MSU-BIT University, Shenzhen 518172, China., Lindman B; School of Biological Sciences, Nanyang Technological University, Singapore 637551, Singapore; Physical Chemistry, University of Lund, P.O. Box 124, S-221 00 Lund, Sweden; Coimbra Chemistry Centre, Department of Chemistry, University of Coimbra, Rua Larga, 3004-535 Coimbra, Portugal. Electronic address: bjorn.lindman@fkem1.lu.se.
Publikováno v:
Advances in colloid and interface science [Adv Colloid Interface Sci] 2024 Apr; Vol. 326, pp. 103133. Date of Electronic Publication: 2024 Mar 14.
A dual diffusion model enables 3D molecule generation and lead optimization based on target pockets.
Autor:
Huang L; City University of Hong Kong, Hong Kong, SAR, China.; Tencent AI Lab, Shenzhen, China., Xu T; Tencent AI Lab, Shenzhen, China., Yu Y; Tencent AI Lab, Shenzhen, China., Zhao P; Tencent AI Lab, Shenzhen, China., Chen X; Harvard Medical School, Boston, USA., Han J; Regor Therapeutics Group, Shanghai, China., Xie Z; Regor Therapeutics Group, Shanghai, China., Li H; Regor Therapeutics Group, Shanghai, China. hailong.li@qlregor.com., Zhong W; Regor Therapeutics Group, Shanghai, China., Wong KC; City University of Hong Kong, Hong Kong, SAR, China. kc.w@cityu.edu.hk., Zhang H; Tencent AI Lab, Shenzhen, China. htzhang.work@gmail.com.
Publikováno v:
Nature communications [Nat Commun] 2024 Mar 26; Vol. 15 (1), pp. 2657. Date of Electronic Publication: 2024 Mar 26.
Autor:
Grassian VH; Department of Chemistry and Biochemistry, University of California San Diego, San Diego, California 92039, United States.
Publikováno v:
The journal of physical chemistry. B [J Phys Chem B] 2022 Aug 04; Vol. 126 (30), pp. 5598-5604. Date of Electronic Publication: 2022 Jun 30.
Publikováno v:
The journal of physical chemistry. B [J Phys Chem B] 2022 Apr 14; Vol. 126 (14), pp. 2609-2611.
Autor:
Vinarov Z; Sofia University, Faculty of Chemistry and Pharmacy, Department of Chemical and Pharmaceutical Engineering, 1 James Bourchier Blvd., 1164 Sofia, Bulgaria.
Publikováno v:
Molecular pharmaceutics [Mol Pharm] 2023 Dec 04; Vol. 20 (12), pp. 5949-5951. Date of Electronic Publication: 2023 Sep 27.
Autor:
Orr-Ewing AJ; School of Chemistry, University of Bristol, Cantock's Close, Bristol BS8 1TS, U.K., Crawford TD; Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States.; Molecular Sciences Software Institute, 1880 Pratt Drive, Suite 1100, Blacksburg, Virginia 24060, United States., Zanni MT; Department of Chemistry, University of Wisconsin─Madison, 1101 University Avenue, Madison, Wisconsin 53706, United States., Hartland G; University of Notre Dame, Notre Dame, Indiana 46556, United States., Shea JE; Department of Chemistry and Biochemistry, University of California, Santa Barbara, Santa Barbara, California 93106, United States.; Department of Physics, University of California, Santa Barbara, Santa Barbara, California 93106, United States.
Publikováno v:
The journal of physical chemistry. A [J Phys Chem A] 2022 Jan 20; Vol. 126 (2), pp. 177-179.
Autor:
Mikhailov OV; Department of Analytical Chemistry, Certification and Quality Management, Kazan National Research Technological University, K. Marx Street 68, 420015 Kazan, Russia.
Publikováno v:
International journal of molecular sciences [Int J Mol Sci] 2021 Dec 27; Vol. 23 (1). Date of Electronic Publication: 2021 Dec 27.
This open access volume brings together selected papers from the 8th International Conference on Attosecond Science and Technology. The contributions within represent the latest advances in attosecond science, covering recent progress in ultrafast el
Autor:
Paulikat M; Computational Biomedicine, Institute of Advanced Simulations IAS-5/Institute for Neuroscience and Medicine INM-9, Forschungszentrum Jülich GmbH, 52428 Jülich, Germany., Piccini G; Institute of Technical and Macromolecular Chemistry, RWTH Aachen University, 52074 Aachen, Germany., Ippoliti E; Computational Biomedicine, Institute of Advanced Simulations IAS-5/Institute for Neuroscience and Medicine INM-9, Forschungszentrum Jülich GmbH, 52428 Jülich, Germany., Rossetti G; Computational Biomedicine, Institute of Advanced Simulations IAS-5/Institute for Neuroscience and Medicine INM-9, Forschungszentrum Jülich GmbH, 52428 Jülich, Germany.; Jülich Supercomputing Centre (JSC), Forschungszentrum Jülich GmbH, 52428 Jülich, Germany.; Department of Neurology, RWTH Aachen University, Aachen 52062, Germany., Arnesano F; Department of Chemistry, University of Bari 'Aldo Moro', Bari 70125, Italy., Carloni P; Computational Biomedicine, Institute of Advanced Simulations IAS-5/Institute for Neuroscience and Medicine INM-9, Forschungszentrum Jülich GmbH, 52428 Jülich, Germany.; Department of Physics, RWTH Aachen University, Aachen 52062, Germany.
Publikováno v:
Journal of chemical information and modeling [J Chem Inf Model] 2023 Nov 27; Vol. 63 (22), pp. 7124-7132. Date of Electronic Publication: 2023 Nov 10.