Zobrazeno 1 - 10
of 33
pro vyhledávání: '"Glick ZL"'
Autor:
Jiang A; Center for Computational Quantum Chemistry, Department of Chemistry, University of Georgia, Athens, Georgia 30602, USA., Glick ZL; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA., Poole D; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA., Turney JM; Center for Computational Quantum Chemistry, Department of Chemistry, University of Georgia, Athens, Georgia 30602, USA., Sherrill CD; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA., Schaefer HF 3rd; Center for Computational Quantum Chemistry, Department of Chemistry, University of Georgia, Athens, Georgia 30602, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2024 Aug 28; Vol. 161 (8).
Autor:
Poole D; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA., Williams-Young DB; Applied Mathematics and Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA., Jiang A; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA., Glick ZL; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA., Sherrill CD; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2024 Aug 07; Vol. 161 (5).
Autor:
Glick ZL; School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology Atlanta Georgia 30332-0400 USA sherrill@gatech.edu., Metcalf DP; School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology Atlanta Georgia 30332-0400 USA sherrill@gatech.edu., Glick CS; School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology Atlanta Georgia 30332-0400 USA sherrill@gatech.edu., Spronk SA; Molecular Structure and Design, Bristol Myers Squibb Company P.O. Box 5400 Princeton New Jersey 08543 USA., Koutsoukas A; Molecular Structure and Design, Bristol Myers Squibb Company P.O. Box 5400 Princeton New Jersey 08543 USA., Cheney DL; Molecular Structure and Design, Bristol Myers Squibb Company P.O. Box 5400 Princeton New Jersey 08543 USA., Sherrill CD; School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology Atlanta Georgia 30332-0400 USA sherrill@gatech.edu.
Publikováno v:
Chemical science [Chem Sci] 2024 Jul 24; Vol. 15 (33), pp. 13313-13324. Date of Electronic Publication: 2024 Jul 24 (Print Publication: 2024).
Autor:
Zeng Y; School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332, USA., Pavlova A; School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332, USA., Nelson PM; Center for Computational Molecular Science and Technology, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.; School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.; School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA., Glick ZL; Center for Computational Molecular Science and Technology, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.; School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.; School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA., Yang L; School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332, USA., Pang YT; School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332, USA., Spivak M; Theoretical and Computational Biophysics Group, NIH Resource for Macromolecular Modeling and Visualization, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA., Licari G; Theoretical and Computational Biophysics Group, NIH Resource for Macromolecular Modeling and Visualization, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA., Tajkhorshid E; Theoretical and Computational Biophysics Group, NIH Resource for Macromolecular Modeling and Visualization, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.; Department of Biochemistry and Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA., Sherrill CD; Center for Computational Molecular Science and Technology, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.; School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.; School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA., Gumbart JC; School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.; School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2024 Jun 28; Vol. 160 (24).
Autor:
Metcalf DP; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United States., Glick ZL; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United States., Bortolato A; Molecular Structure and Design, Bristol-Myers Squibb Company, P.O. Box 5400, Princeton, New Jersey 08543, United States., Jiang A; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United States., Cheney DL; Molecular Structure and Design, Bristol-Myers Squibb Company, P.O. Box 5400, Princeton, New Jersey 08543, United States., Sherrill CD; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United States.
Publikováno v:
Journal of chemical information and modeling [J Chem Inf Model] 2024 Mar 25; Vol. 64 (6), pp. 1907-1918. Date of Electronic Publication: 2024 Mar 12.
Autor:
Spronk SA; Molecular Structure and Design, Bristol Myers Squibb Company, P. O. Box 5400, Princeton, NJ, 08543, USA. steven.spronk@bms.com., Glick ZL; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, GA, 30332-0400, USA., Metcalf DP; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, GA, 30332-0400, USA., Sherrill CD; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, GA, 30332-0400, USA. sherrill@chemistry.gatech.edu., Cheney DL; Molecular Structure and Design, Bristol Myers Squibb Company, P. O. Box 5400, Princeton, NJ, 08543, USA.
Publikováno v:
Scientific data [Sci Data] 2023 Sep 12; Vol. 10 (1), pp. 619. Date of Electronic Publication: 2023 Sep 12.
Autor:
Nelson PM; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA., Glick ZL; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA., Sherrill CD; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, and School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2023 Sep 07; Vol. 159 (9).
A quantitative assessment of deformation energy in intermolecular interactions: How important is it?
Autor:
Sargent CT; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA., Kasera R; Molecular Structure and Design, Bristol Myers Squibb Company, P.O. Box 5400, Princeton, New Jersey 08543, USA., Glick ZL; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA., Sherrill CD; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA., Cheney DL; Molecular Structure and Design, Bristol Myers Squibb Company, P.O. Box 5400, Princeton, New Jersey 08543, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2023 Jun 28; Vol. 158 (24).
Autor:
Borca CH; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.; Department of Chemical and Biological Engineering, School of Engineering and Applied Science, Princeton University, 41 Olden Street, Princeton, New Jersey 08544, USA., Glick ZL; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, USA., Metcalf DP; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, USA., Burns LA; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, USA., Sherrill CD; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.; School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2023 Jun 21; Vol. 158 (23).
Autor:
Xie Y; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA., Glick ZL; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA., Sherrill CD; Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2023 Mar 07; Vol. 158 (9), pp. 094110.