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The Journal of Chemical Physics
|
July 23, 2004
Fast semiempirical calculations for nuclear magnetic resonance chemical shifts: a divide-and-conquer approach
Bing Wang, Edward N Brothers, Arjan van der Vaart, et al.
Journal of the American Chemical Society
|
June 8, 2012
Wide-open flaps are key to urease activity
Benjamin P Roberts, Bill R Miller, Adrian E Roitberg, et al.
Journal of Chemical Theory and Computation
|
June 9, 2020
Parallel Implementation of Density Functional Theory Methods in the Quantum Interaction Computational Kernel Program
Madushanka Manathunga, Yipu Miao, Dawei Mu, et al.
Journal of Chemical Theory and Computation
|
December 8, 2015
Accurate Atomic and Molecular Calculations without Gradient Corrections: Scaled SVWNV Density Functional
Kevin E Riley, Edward N Brothers, Kenneth B Ayers, et al.
Journal of Chemical Information and Modeling
|
June 28, 2021
Correction to "Parameterization of Monovalent Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models"
Arkajyoti Sengupta, Zhen Li, Lin Frank Song, et al.
Journal of Chemical Information and Modeling
|
February 4, 2021
Parameterization of Monovalent Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models
Arkajyoti Sengupta, Zhen Li, Lin Frank Song, et al.
Journal of Chemical Theory and Computation
|
May 20, 2014
Molecular Dynamics Study of <i>Helicobacter pylori</i> Urease
Mona S Minkara, Melek N Ucisik, Michael N Weaver, et al.
Journal of Chemical Information and Modeling
|
March 6, 2026
QUICK and Robust ESP and RESP Charges for Computational Biochemistry: Open-Source GPU Implementation
Vikrant Tripathy, Etienne Palos, Kenneth M Merz, et al.
Journal of Chemical Information and Modeling
|
April 29, 2021
Open-Source Multi-GPU-Accelerated QM/MM Simulations with AMBER and QUICK
Vinícius Wilian D Cruzeiro, Madushanka Manathunga, Kenneth M Merz, et al.
Journal of the American Chemical Society
|
April 3, 2018
The Role of the Active Site Flap in Streptavidin/Biotin Complex Formation
Nupur Bansal, Zheng Zheng, Lin Frank Song, et al.
Page
of 34
Search research articles
Search
Showing results (161-170 of 332) with videos related to
Sort By:
Page
of 34
The Journal of Chemical Physics
|
July 23, 2004
Fast semiempirical calculations for nuclear magnetic resonance chemical shifts: a divide-and-conquer approach
Bing Wang, Edward N Brothers, Arjan van der Vaart, et al.
Journal of the American Chemical Society
|
June 8, 2012
Wide-open flaps are key to urease activity
Benjamin P Roberts, Bill R Miller, Adrian E Roitberg, et al.
Journal of Chemical Theory and Computation
|
June 9, 2020
Parallel Implementation of Density Functional Theory Methods in the Quantum Interaction Computational Kernel Program
Madushanka Manathunga, Yipu Miao, Dawei Mu, et al.
Journal of Chemical Theory and Computation
|
December 8, 2015
Accurate Atomic and Molecular Calculations without Gradient Corrections: Scaled SVWNV Density Functional
Kevin E Riley, Edward N Brothers, Kenneth B Ayers, et al.
Journal of Chemical Information and Modeling
|
June 28, 2021
Correction to "Parameterization of Monovalent Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models"
Arkajyoti Sengupta, Zhen Li, Lin Frank Song, et al.
Journal of Chemical Information and Modeling
|
February 4, 2021
Parameterization of Monovalent Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models
Arkajyoti Sengupta, Zhen Li, Lin Frank Song, et al.
Journal of Chemical Theory and Computation
|
May 20, 2014
Molecular Dynamics Study of <i>Helicobacter pylori</i> Urease
Mona S Minkara, Melek N Ucisik, Michael N Weaver, et al.
Journal of Chemical Information and Modeling
|
March 6, 2026
QUICK and Robust ESP and RESP Charges for Computational Biochemistry: Open-Source GPU Implementation
Vikrant Tripathy, Etienne Palos, Kenneth M Merz, et al.
Journal of Chemical Information and Modeling
|
April 29, 2021
Open-Source Multi-GPU-Accelerated QM/MM Simulations with AMBER and QUICK
Vinícius Wilian D Cruzeiro, Madushanka Manathunga, Kenneth M Merz, et al.
Journal of the American Chemical Society
|
April 3, 2018
The Role of the Active Site Flap in Streptavidin/Biotin Complex Formation
Nupur Bansal, Zheng Zheng, Lin Frank Song, et al.
Page
of 34