Zobrazeno 1 - 10
of 30
pro vyhledávání: '"Pickard FC 4th"'
Autor:
Xue B; Shenzhen Jingtai Technology Co., Ltd. (XtalPi), Floor 3, Sf Industrial Plant, No. 2 Hongliu Road, Fubao Community, Fubao Street, Futian District, Shenzhen 518045, China., Yang Q; Medicine Design, Pfizer Inc., 1 Portland Street, Cambridge, Massachusetts 02139, United States., Zhang Q; Shenzhen Jingtai Technology Co., Ltd. (XtalPi), Floor 3, Sf Industrial Plant, No. 2 Hongliu Road, Fubao Community, Fubao Street, Futian District, Shenzhen 518045, China., Wan X; Shenzhen Jingtai Technology Co., Ltd. (XtalPi), Floor 3, Sf Industrial Plant, No. 2 Hongliu Road, Fubao Community, Fubao Street, Futian District, Shenzhen 518045, China., Fang D; Shenzhen Jingtai Technology Co., Ltd. (XtalPi), Floor 3, Sf Industrial Plant, No. 2 Hongliu Road, Fubao Community, Fubao Street, Futian District, Shenzhen 518045, China., Lin X; Shenzhen Jingtai Technology Co., Ltd. (XtalPi), Floor 3, Sf Industrial Plant, No. 2 Hongliu Road, Fubao Community, Fubao Street, Futian District, Shenzhen 518045, China., Sun G; Shenzhen Jingtai Technology Co., Ltd. (XtalPi), Floor 3, Sf Industrial Plant, No. 2 Hongliu Road, Fubao Community, Fubao Street, Futian District, Shenzhen 518045, China., Gobbo G; XtalPi Inc., 245 Main Street, Cambridge, Massachusetts 02142, United States., Cao F; Shenzhen Jingtai Technology Co., Ltd. (XtalPi), Floor 3, Sf Industrial Plant, No. 2 Hongliu Road, Fubao Community, Fubao Street, Futian District, Shenzhen 518045, China., Mathiowetz AM; Medicine Design, Pfizer Inc., 1 Portland Street, Cambridge, Massachusetts 02139, United States., Burke BJ; Medicine Design, Pfizer Inc., 10777 Science Center Drive, San Diego, California 92121, United States., Kumpf RA; Medicine Design, Pfizer Inc., 10777 Science Center Drive, San Diego, California 92121, United States., Rai BK; Machine Learning and Computational Sciences, Pfizer Inc., 610 Main Street, Cambridge, Massachusetts 02139, United States., Wood GPF; Pharmaceutical Science Small Molecule, Pfizer Inc., Eastern Point Road, Groton, Connecticut 06340, United States., Pickard FC 4th; Pharmaceutical Science Small Molecule, Pfizer Inc., Eastern Point Road, Groton, Connecticut 06340, United States., Wang J; Department of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States., Zhang P; Shenzhen Jingtai Technology Co., Ltd. (XtalPi), Floor 3, Sf Industrial Plant, No. 2 Hongliu Road, Fubao Community, Fubao Street, Futian District, Shenzhen 518045, China., Ma J; Shenzhen Jingtai Technology Co., Ltd. (XtalPi), Floor 3, Sf Industrial Plant, No. 2 Hongliu Road, Fubao Community, Fubao Street, Futian District, Shenzhen 518045, China., Jiang YA; XtalPi Inc., 245 Main Street, Cambridge, Massachusetts 02142, United States., Wen S; Shenzhen Jingtai Technology Co., Ltd. (XtalPi), Floor 3, Sf Industrial Plant, No. 2 Hongliu Road, Fubao Community, Fubao Street, Futian District, Shenzhen 518045, China., Hou X; Medicine Design, Pfizer Inc., 1 Portland Street, Cambridge, Massachusetts 02139, United States., Zou J; Shenzhen Jingtai Technology Co., Ltd. (XtalPi), Floor 3, Sf Industrial Plant, No. 2 Hongliu Road, Fubao Community, Fubao Street, Futian District, Shenzhen 518045, China., Yang M; Shenzhen Jingtai Technology Co., Ltd. (XtalPi), Floor 3, Sf Industrial Plant, No. 2 Hongliu Road, Fubao Community, Fubao Street, Futian District, Shenzhen 518045, China.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2024 Jan 23; Vol. 20 (2), pp. 799-818. Date of Electronic Publication: 2023 Dec 29.
Autor:
Liu Y; Analytical Research and Development, Pfizer Research and Development, 445 Eastern Point Road, Groton, CT 06340, USA. Yizhou.Liu@pfizer.com., Pickard FC 4th; Pharmaceutical Sciences, Pfizer Research & Development, Groton, CT 06340, USA.; Medicine Design, Pfizer Research & Development, Cambridge, MA 02139, USA., Sluggett GW; Analytical Research and Development, Pfizer Research and Development, 445 Eastern Point Road, Groton, CT 06340, USA. Yizhou.Liu@pfizer.com., Mustakis IG; Chemical Research & Development, Pfizer Research & Development, Groton, CT 06340, USA.
Publikováno v:
Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2024 Jan 17; Vol. 26 (3), pp. 1869-1880. Date of Electronic Publication: 2024 Jan 17.
Autor:
Baumann HM; Department of Pharmaceutical Sciences, University of California, Irvine, Irvine, California 92697, United States., Dybeck E; Pfizer Worldwide Research, Development, and Medical, 1 Portland Street, Cambridge, Massachusetts 02139, United States., McClendon CL; Pfizer Worldwide Research, Development, and Medical, 1 Portland Street, Cambridge, Massachusetts 02139, United States., Pickard FC 4th; Pfizer Worldwide Research, Development, and Medical, 1 Portland Street, Cambridge, Massachusetts 02139, United States., Gapsys V; Computational Chemistry, Janssen Research & Development, Janssen Pharmaceutica N. V., Turnhoutseweg 30, B-2340 Beerse, Belgium., Pérez-Benito L; Computational Chemistry, Janssen Research & Development, Janssen Pharmaceutica N. V., Turnhoutseweg 30, B-2340 Beerse, Belgium., Hahn DF; Computational Chemistry, Janssen Research & Development, Janssen Pharmaceutica N. V., Turnhoutseweg 30, B-2340 Beerse, Belgium., Tresadern G; Computational Chemistry, Janssen Research & Development, Janssen Pharmaceutica N. V., Turnhoutseweg 30, B-2340 Beerse, Belgium., Mathiowetz AM; Pfizer Worldwide Research, Development, and Medical, 1 Portland Street, Cambridge, Massachusetts 02139, United States., Mobley DL; Department of Pharmaceutical Sciences, University of California, Irvine, Irvine, California 92697, United States.; Department of Chemistry, University of California, Irvine, Irvine, California 92697, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2023 Aug 08; Vol. 19 (15), pp. 5058-5076. Date of Electronic Publication: 2023 Jul 24.
Autor:
Wu H; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States., Grinberg Dana A; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.; Wolfson Department of Chemical Engineering, Technion - Israel Institute of Technology, Haifa 3200003, Israel., Ranasinghe DS; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States., Pickard FC 4th; Pfizer Global Research and Development, Groton Laboratories, Eastern Point Road, Groton, Connecticut 06340, United States., Wood GPF; Pfizer Global Research and Development, Groton Laboratories, Eastern Point Road, Groton, Connecticut 06340, United States., Zelesky T; Pfizer Global Research and Development, Groton Laboratories, Eastern Point Road, Groton, Connecticut 06340, United States., Sluggett GW; Pfizer Global Research and Development, Groton Laboratories, Eastern Point Road, Groton, Connecticut 06340, United States., Mustakis J; Pfizer Global Research and Development, Groton Laboratories, Eastern Point Road, Groton, Connecticut 06340, United States., Green WH; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
Publikováno v:
Molecular pharmaceutics [Mol Pharm] 2022 May 02; Vol. 19 (5), pp. 1526-1539. Date of Electronic Publication: 2022 Apr 18.
Autor:
Grinberg Dana A; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.; Wolfson Department of Chemical Engineering, Technion, Israel Institute of Technology, Haifa 3200003, Israel., Wu H; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States., Ranasinghe DS; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States., Pickard FC 4th; Pfizer Global Research & Development, Groton Laboratories, Eastern Point Road, Groton, Connecticut 06340, United States., Wood GPF; Pfizer Global Research & Development, Groton Laboratories, Eastern Point Road, Groton, Connecticut 06340, United States., Zelesky T; Pfizer Global Research & Development, Groton Laboratories, Eastern Point Road, Groton, Connecticut 06340, United States., Sluggett GW; Pfizer Global Research & Development, Groton Laboratories, Eastern Point Road, Groton, Connecticut 06340, United States., Mustakis J; Pfizer Global Research & Development, Groton Laboratories, Eastern Point Road, Groton, Connecticut 06340, United States., Green WH; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
Publikováno v:
Molecular pharmaceutics [Mol Pharm] 2021 Aug 02; Vol. 18 (8), pp. 3037-3049. Date of Electronic Publication: 2021 Jul 08.
Autor:
Krämer A; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute , National Institutes of Health , Bethesda , Maryland 20892 , United States.; Institute of Technology, Resource and Energy-Efficient Engineering , Bonn-Rhein-Sieg University of Applied Sciences , Grantham-Allee 20 , 53757 Sankt Augustin , Germany., Pickard FC 4th; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute , National Institutes of Health , Bethesda , Maryland 20892 , United States., Huang J; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute , National Institutes of Health , Bethesda , Maryland 20892 , United States.; School of Life Sciences , Westlake University , 18 Shilongshan Road , Hangzhou 310024 , Zhejiang China.; Department of Pharmaceutical Science, School of Pharmacy , University of Maryland , 20 Penn Street , Baltimore , Maryland 21201 , United States., Venable RM; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute , National Institutes of Health , Bethesda , Maryland 20892 , United States., Simmonett AC; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute , National Institutes of Health , Bethesda , Maryland 20892 , United States., Reith D; Institute of Technology, Resource and Energy-Efficient Engineering , Bonn-Rhein-Sieg University of Applied Sciences , Grantham-Allee 20 , 53757 Sankt Augustin , Germany., Kirschner KN; Institute of Technology, Resource and Energy-Efficient Engineering , Bonn-Rhein-Sieg University of Applied Sciences , Grantham-Allee 20 , 53757 Sankt Augustin , Germany., Pastor RW; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute , National Institutes of Health , Bethesda , Maryland 20892 , United States., Brooks BR; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute , National Institutes of Health , Bethesda , Maryland 20892 , United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2019 Jun 11; Vol. 15 (6), pp. 3854-3867. Date of Electronic Publication: 2019 May 09.
Autor:
Tofoleanu F; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute , National Institutes of Health , Bethesda , Maryland 20892 , United States.; Department of Chemistry , Yale University , New Haven , Connecticut 06520 , United States., Yuan Y; Institute for Discovery , University College Dublin , Belfield, Dublin 4 , Ireland.; School of Physics , University College Dublin , Dublin 4 , Ireland., Pickard FC 4th; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute , National Institutes of Health , Bethesda , Maryland 20892 , United States., Tywoniuk B; Institute for Discovery , University College Dublin , Belfield, Dublin 4 , Ireland.; School of Physics , University College Dublin , Dublin 4 , Ireland., Brooks BR; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute , National Institutes of Health , Bethesda , Maryland 20892 , United States., Buchete NV; Institute for Discovery , University College Dublin , Belfield, Dublin 4 , Ireland.; School of Physics , University College Dublin , Dublin 4 , Ireland.
Publikováno v:
The journal of physical chemistry. B [J Phys Chem B] 2018 May 31; Vol. 122 (21), pp. 5657-5665. Date of Electronic Publication: 2018 Feb 21.
Autor:
Leonard AN; Biophysics Program, University of Maryland , College Park, Maryland 20742, United States., Simmonett AC; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health , Bethesda, Maryland 20892, United States., Pickard FC 4th; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health , Bethesda, Maryland 20892, United States., Huang J; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health , Bethesda, Maryland 20892, United States.; Department of Pharmaceutical Science, School of Pharmacy, University of Maryland , 20 Penn Street, Baltimore, Maryland 21201, United States., Venable RM; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health , Bethesda, Maryland 20892, United States., Klauda JB; Biophysics Program, University of Maryland , College Park, Maryland 20742, United States.; Department of Chemical and Biomolecular Engineering, University of Maryland , College Park, Maryland 20742, United States., Brooks BR; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health , Bethesda, Maryland 20892, United States., Pastor RW; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health , Bethesda, Maryland 20892, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2018 Feb 13; Vol. 14 (2), pp. 948-958. Date of Electronic Publication: 2018 Jan 09.
Autor:
Huang J; Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, 20 Penn St., Baltimore, Maryland 21201, USA., Simmonett AC; Laboratory of Computational Biology, National Heart, Lung and Blood Institute, National Institutes of Health, 5635 Fishers Lane, Rockville, Maryland 20852, USA., Pickard FC 4th; Laboratory of Computational Biology, National Heart, Lung and Blood Institute, National Institutes of Health, 5635 Fishers Lane, Rockville, Maryland 20852, USA., MacKerell AD Jr; Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, 20 Penn St., Baltimore, Maryland 21201, USA., Brooks BR; Laboratory of Computational Biology, National Heart, Lung and Blood Institute, National Institutes of Health, 5635 Fishers Lane, Rockville, Maryland 20852, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2017 Oct 28; Vol. 147 (16), pp. 161702.
Autor:
Li Y; Argonne Leadership Computing Facility, Argonne National Laboratory , Argonne, Illinois 60439, United States., Li H; Department of Biochemistry and Molecular Biophysics, University of Chicago , Chicago, Illinois 60637, United States., Pickard FC 4th; Laboratory of Computational Biology, National Heart, Lung and Blood Institute, National Institutes of Health , Bethesda, Maryland 20892, United States., Narayanan B; Center for Nanoscale Materials, Argonne National Laboratory , Argonne, Illinois 60439, United States., Sen FG; Center for Nanoscale Materials, Argonne National Laboratory , Argonne, Illinois 60439, United States., Chan MKY; Center for Nanoscale Materials, Argonne National Laboratory , Argonne, Illinois 60439, United States.; Computational Institute, University of Chicago , Chicago, Illinois 60637, United States., Sankaranarayanan SKRS; Center for Nanoscale Materials, Argonne National Laboratory , Argonne, Illinois 60439, United States.; Computational Institute, University of Chicago , Chicago, Illinois 60637, United States., Brooks BR; Laboratory of Computational Biology, National Heart, Lung and Blood Institute, National Institutes of Health , Bethesda, Maryland 20892, United States., Roux B; Department of Biochemistry and Molecular Biophysics, University of Chicago , Chicago, Illinois 60637, United States.; Center for Nanoscale Materials, Argonne National Laboratory , Argonne, Illinois 60439, United States.; Computational Institute, University of Chicago , Chicago, Illinois 60637, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2017 Sep 12; Vol. 13 (9), pp. 4492-4503. Date of Electronic Publication: 2017 Sep 01.