المؤلفون: Mai H; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California91125, United States., Zimmer MH; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California91125, United States., Miller TF 3rd; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California91125, United States.

المصدر: The journal of physical chemistry. B [J Phys Chem B] 2023 Jan 19; Vol. 127 (2), pp. 446-455. Date of Electronic Publication: 2023 Jan 06.

نوع المنشور: Journal Article; Research Support, Non-U.S. Gov't; Research Support, N.I.H., Extramural; Research Support, U.S. Gov't, Non-P.H.S.

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101157530 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5207 (Electronic) Linking ISSN: 15205207 NLM ISO Abbreviation: J Phys Chem B Subsets: MEDLINE

مواضيع طبية MeSH: Ubiquitin-Protein Ligases*/chemistry , Ubiquitin-Protein Ligases*/metabolism , Proteins*/metabolism, Proteolysis ; Thermodynamics

المؤلفون: Cheng L; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA., Sun J; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA., Deustua JE; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA., Bhethanabotla VC; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA., Miller TF 3rd; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA.

المصدر: The Journal of chemical physics [J Chem Phys] 2022 Oct 21; Vol. 157 (15), pp. 154105.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: PubMed not MEDLINE; MEDLINE

المؤلفون: Lawniczak JJ; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States., Zhang X; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States., Christianson M; The Dow Chemical Company, Midland, Michigan 48674, United States., Bailey B; The Dow Chemical Company, Midland, Michigan 48674, United States., Bremer S; The Dow Chemical Company, Midland, Michigan 48674, United States., Barcia S; Kelly Services, Inc., Troy, Michigan 48084, United States., Mukhopadhyay S; The Dow Chemical Company, Midland, Michigan 48674, United States., Klosin J; The Dow Chemical Company, Midland, Michigan 48674, United States., Miller TF 3rd; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States.

المصدر: The journal of physical chemistry. A [J Phys Chem A] 2022 Oct 06; Vol. 126 (39), pp. 6858-6869. Date of Electronic Publication: 2022 Sep 22.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9890903 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5215 (Electronic) Linking ISSN: 10895639 NLM ISO Abbreviation: J Phys Chem A Subsets: PubMed not MEDLINE; MEDLINE

المؤلفون: Sun J; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA., Cheng L; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA., Miller TF 3rd; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA.

المصدر: The Journal of chemical physics [J Chem Phys] 2022 Sep 14; Vol. 157 (10), pp. 104109.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: MEDLINE

مواضيع طبية MeSH: Electrons* , Machine Learning*, Electricity ; Normal Distribution ; Water

المؤلفون: Cheng L; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States., Sun J; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States., Miller TF 3rd; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States.

المصدر: Journal of chemical theory and computation [J Chem Theory Comput] 2022 Aug 09; Vol. 18 (8), pp. 4826-4835. Date of Electronic Publication: 2022 Jul 20.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE

مواضيع طبية MeSH: Algorithms* , Machine Learning*, Cluster Analysis ; Normal Distribution

المؤلفون: Qiao Z; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, CA 91125., Christensen AS; Entos, Inc., Los Angeles, CA 90027., Welborn M; Entos, Inc., Los Angeles, CA 90027., Manby FR; Entos, Inc., Los Angeles, CA 90027., Anandkumar A; Division of Engineering and Applied Science, California Institute of Technology, Pasadena, CA 91125.; Nvidia Corporation, Santa Clara, CA 95051., Miller TF 3rd; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, CA 91125.; Entos, Inc., Los Angeles, CA 90027.

المصدر: Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2022 Aug 02; Vol. 119 (31), pp. e2205221119. Date of Electronic Publication: 2022 Jul 28.

نوع المنشور: Journal Article; Research Support, Non-U.S. Gov't

بيانات الدورية: Publisher: National Academy of Sciences Country of Publication: United States NLM ID: 7505876 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1091-6490 (Electronic) Linking ISSN: 00278424 NLM ISO Abbreviation: Proc Natl Acad Sci U S A Subsets: MEDLINE

مواضيع طبية MeSH: Deep Learning*, Electronics ; Machine Learning ; Neural Networks, Computer ; Small Molecule Libraries

المؤلفون: Lu F; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States., Cheng L; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States., DiRisio RJ; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States., Finney JM; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States., Boyer MA; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States., Moonkaen P; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States., Sun J; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States., Lee SJR; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States., Deustua JE; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States., Miller TF 3rd; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States., McCoy AB; Department of Chemistry, University of Washington, Seattle, Washington 98195, United States.

المصدر: The journal of physical chemistry. A [J Phys Chem A] 2022 Jun 30; Vol. 126 (25), pp. 4013-4024. Date of Electronic Publication: 2022 Jun 17.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9890903 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5215 (Electronic) Linking ISSN: 10895639 NLM ISO Abbreviation: J Phys Chem A Subsets: PubMed not MEDLINE; MEDLINE

المؤلفون: Begušić T; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA., Tao X; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA., Blake GA; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA., Miller TF 3rd; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA.

المصدر: The Journal of chemical physics [J Chem Phys] 2022 Apr 07; Vol. 156 (13), pp. 131102.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: PubMed not MEDLINE; MEDLINE

المؤلفون: Christensen AS; Entos, Inc., Los Angeles, California 90027, USA., Sirumalla SK; Entos, Inc., Los Angeles, California 90027, USA., Qiao Z; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA., O'Connor MB; Entos, Inc., Los Angeles, California 90027, USA., Smith DGA; Entos, Inc., Los Angeles, California 90027, USA., Ding F; Entos, Inc., Los Angeles, California 90027, USA., Bygrave PJ; Entos, Inc., Los Angeles, California 90027, USA., Anandkumar A; Division of Engineering and Applied Sciences, California Institute of Technology, Pasadena, California 91125, USA., Welborn M; Entos, Inc., Los Angeles, California 90027, USA., Manby FR; Entos, Inc., Los Angeles, California 90027, USA., Miller TF 3rd; Entos, Inc., Los Angeles, California 90027, USA.

المصدر: The Journal of chemical physics [J Chem Phys] 2021 Nov 28; Vol. 155 (20), pp. 204103.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: PubMed not MEDLINE; MEDLINE

المؤلفون: Li B; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States., Zhang X; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States., Stauber JM; Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, California 90095, United States., Miller TF 3rd; Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States., Spokoyny AM; Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, California 90095, United States.

المصدر: The journal of physical chemistry. A [J Phys Chem A] 2021 Jul 22; Vol. 125 (28), pp. 6141-6150. Date of Electronic Publication: 2021 Jul 09.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9890903 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5215 (Electronic) Linking ISSN: 10895639 NLM ISO Abbreviation: J Phys Chem A Subsets: PubMed not MEDLINE; MEDLINE