المؤلفون: Torrillo PA; Institute for Medical Engineering and Sciences, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.; Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA., Lieberman TD; Institute for Medical Engineering and Sciences, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.; Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.; Broad Institute of MIT and Harvard, Cambridge, MA 02139, USA.; Ragon Institute of MGH, MIT, and Harvard, Cambridge, MA 02139, USA.

المصدر: BioRxiv : the preprint server for biology [bioRxiv] 2024 Jun 18. Date of Electronic Publication: 2024 Jun 18.

نوع المنشور: Journal Article; Preprint

بيانات الدورية: Country of Publication: United States NLM ID: 101680187 Publication Model: Electronic Cited Medium: Internet ISSN: 2692-8205 (Electronic) Linking ISSN: 26928205 NLM ISO Abbreviation: bioRxiv Subsets: PubMed not MEDLINE

المؤلفون: Bogetti AT; Department of Chemistry, University of Pittsburgh, Pittsburgh, PA., Leung JMG; Department of Chemistry, University of Pittsburgh, Pittsburgh, PA., Russo JD; Department of Biomedical Engineering, Oregon Health and Science University, Portland, OR., Zhang S; OpenEye Scientific, Santa Fe, NM., Thompson JP; OpenEye Scientific, Santa Fe, NM., Saglam AS; Department of Biological Sciences, University of Pittsburgh, Pittsburgh, PA., Ray D; Department of Chemistry, University of California Irvine, Irvine, CA., Mostofian B; Department of Biomedical Engineering, Oregon Health and Science University, Portland, OR., Pratt AJ; Department of Chemistry, University of Pittsburgh, Pittsburgh, PA., Abraham RC; Department of Chemistry, University of Pittsburgh, Pittsburgh, PA., Harrison PO; Department of Chemistry, University of Pittsburgh, Pittsburgh, PA., Dudek M; Department of Chemistry, University of Pittsburgh, Pittsburgh, PA., Torrillo PA; Department of Chemistry, University of Pittsburgh, Pittsburgh, PA., DeGrave AJ; Department of Chemistry, University of Pittsburgh, Pittsburgh, PA., Adhikari U; Department of Biomedical Engineering, Oregon Health and Science University, Portland, OR., Faeder JR; Department of Biological Sciences, University of Pittsburgh, Pittsburgh, PA., Andricioaei I; Department of Chemistry, University of California Irvine, Irvine, CA., Adelman JL; Department of Biological Sciences, University of Pittsburgh, Pittsburgh, PA., Zwier MC; Department of Chemistry, Drake University, Des Moines, IA., LeBard DN; OpenEye Scientific, Santa Fe, NM., Zuckerman DM; Department of Biomedical Engineering, Oregon Health and Science University, Portland, OR., Chong LT; Department of Chemistry, University of Pittsburgh, Pittsburgh, PA.

المصدر: Living journal of computational molecular science [Living J Comput Mol Sci] 2023; Vol. 5 (1).

نوع المنشور: Journal Article

بيانات الدورية: Publisher: University of Colorado Boulder Country of Publication: United States NLM ID: 101736625 Publication Model: Print Cited Medium: Internet ISSN: 2575-6524 (Electronic) NLM ISO Abbreviation: Living J Comput Mol Sci Subsets: PubMed not MEDLINE

المؤلفون: Russo JD; Department of Biomedical Engineering, Oregon Health and Science University, Portland, Oregon 97239-3098, United States., Zhang S; OpenEye Scientific, Santa Fe, New Mexico 87508, United States., Leung JMG; Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States., Bogetti AT; Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States., Thompson JP; OpenEye Scientific, Santa Fe, New Mexico 87508, United States., DeGrave AJ; Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States., Torrillo PA; Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States., Pratt AJ; Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States., Wong KF; Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States., Xia J; OpenEye Scientific, Santa Fe, New Mexico 87508, United States., Copperman J; Department of Biomedical Engineering, Oregon Health and Science University, Portland, Oregon 97239-3098, United States., Adelman JL; Department of Biological Sciences, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States., Zwier MC; Department of Chemistry, Drake University, Des Moines, Iowa 50311-4505, United States., LeBard DN; OpenEye Scientific, Santa Fe, New Mexico 87508, United States., Zuckerman DM; Department of Biomedical Engineering, Oregon Health and Science University, Portland, Oregon 97239-3098, United States., Chong LT; Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States.

المصدر: Journal of chemical theory and computation [J Chem Theory Comput] 2022 Feb 08; Vol. 18 (2), pp. 638-649. Date of Electronic Publication: 2022 Jan 19.

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: PubMed not MEDLINE; MEDLINE

المؤلفون: Torrillo PA; Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States., Bogetti AT; Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States., Chong LT; Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States.

المصدر: The journal of physical chemistry. A [J Phys Chem A] 2021 Feb 25; Vol. 125 (7), pp. 1642-1649. Date of Electronic Publication: 2021 Feb 12.

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: Bogetti AT; Department of Chemistry, University of Pittsburgh, Pittsburgh, PA., Mostofian B; Department of Biomedical Engineering, Oregon Health and Science University, Portland, OR., Dickson A; Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, MI., Pratt AJ; Department of Chemistry, University of Pittsburgh, Pittsburgh, PA., Saglam AS; Department of Chemistry, University of Pittsburgh, Pittsburgh, PA., Harrison PO; Department of Chemistry, University of Pittsburgh, Pittsburgh, PA., Adelman JL; Department of Biological Sciences, University of Pittsburgh, Pittsburgh, PA; currently unaffiliated., Dudek M; Department of Chemistry, University of Pittsburgh, Pittsburgh, PA., Torrillo PA; Department of Chemistry, University of Pittsburgh, Pittsburgh, PA., DeGrave AJ; Department of Chemistry, University of Pittsburgh, Pittsburgh, PA.; Current address: Paul G. Allen School of Computer Science and Engineering, University of Washington, Seattle, WA., Adhikari U; Department of Biomedical Engineering, Oregon Health and Science University, Portland, OR.; Current address: Department of Chemistry, Missouri Valley College, Marshall, MO., Zwier MC; Department of Chemistry, Drake University, Des Moines, IA., Zuckerman DM; Department of Biomedical Engineering, Oregon Health and Science University, Portland, OR., Chong LT; Department of Chemistry, University of Pittsburgh, Pittsburgh, PA.

المصدر: Living journal of computational molecular science [Living J Comput Mol Sci] 2019; Vol. 1 (2). Date of Electronic Publication: 2019 Oct 04.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: University of Colorado Boulder Country of Publication: United States NLM ID: 101736625 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2575-6524 (Electronic) NLM ISO Abbreviation: Living J Comput Mol Sci Subsets: PubMed not MEDLINE