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Biorxiv : the Preprint Server for Biology
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September 30, 2024
Molecular insights into substrate translocation in an elevator-type metal transporter
Yao Zhang, Majid Jafari, Tuo Zhang, et al.
Journal of Chemical Theory and Computation
|
June 15, 2026
Quantum-Centric Alchemical Free Energy Calculations
Milana Bazayeva, Zhen Li, Danil Kaliakin, et al.
Journal of Chemical Theory and Computation
|
December 17, 2008
Assigning the protonation states of the key aspartates in β-Secretase using QM/MM X-ray structure refinement
Ning Yu, Seth A Hayik, Bing Wang, et al.
The Journal of Physical Chemistry Letters
|
June 8, 2022
A Polarizable Cationic Dummy Metal Ion Model
Ali Rahnamoun, Kurt A O'Hearn, Mehmet Cagri Kaymak, et al.
The Journal of Physical Chemistry Letters
|
June 21, 2022
Primer for Designing Main Protease (M<sup>pro</sup>) Inhibitors of SARS-CoV-2
Abhishek Thakur, Gaurav Sharma, Vishnu Nayak Badavath, et al.
Journal of Chemical Theory and Computation
|
September 22, 2010
Structural Survey of Zinc Containing Proteins and the Development of the Zinc AMBER Force Field (ZAFF)
Martin B Peters, Yue Yang, Bing Wang, et al.
Journal of Chemical Information and Modeling
|
July 7, 2020
Impact of the <i>Journal of Chemical Information and Modeling</i> Special Issue on Women in Computational Chemistry
Angelica Mazzolari, Ariane Nunes-Alves, Habibah A Wahab, et al.
Journal of Computational Chemistry
|
March 27, 2002
Computation of the physio-chemical properties and data mining of large molecular collections
Ailan Cheng, David J Diller, Steven L Dixon, et al.
Journal of Biomolecular NMR
|
April 24, 2013
Solution NMR refinement of a metal ion bound protein using metal ion inclusive restrained molecular dynamics methods
Dhruva K Chakravorty, Bing Wang, Chul Won Lee, et al.
Journal of Chemical Information and Modeling
|
July 3, 2019
Random Forest Refinement of Pairwise Potentials for Protein-Ligand Decoy Detection
Jun Pei, Zheng Zheng, Hyunji Kim, et al.
Page
of 34
Search research articles
Search
Showing results (201-210 of 332) with videos related to
Sort By:
Page
of 34
Biorxiv : the Preprint Server for Biology
|
September 30, 2024
Molecular insights into substrate translocation in an elevator-type metal transporter
Yao Zhang, Majid Jafari, Tuo Zhang, et al.
Journal of Chemical Theory and Computation
|
June 15, 2026
Quantum-Centric Alchemical Free Energy Calculations
Milana Bazayeva, Zhen Li, Danil Kaliakin, et al.
Journal of Chemical Theory and Computation
|
December 17, 2008
Assigning the protonation states of the key aspartates in β-Secretase using QM/MM X-ray structure refinement
Ning Yu, Seth A Hayik, Bing Wang, et al.
The Journal of Physical Chemistry Letters
|
June 8, 2022
A Polarizable Cationic Dummy Metal Ion Model
Ali Rahnamoun, Kurt A O'Hearn, Mehmet Cagri Kaymak, et al.
The Journal of Physical Chemistry Letters
|
June 21, 2022
Primer for Designing Main Protease (M<sup>pro</sup>) Inhibitors of SARS-CoV-2
Abhishek Thakur, Gaurav Sharma, Vishnu Nayak Badavath, et al.
Journal of Chemical Theory and Computation
|
September 22, 2010
Structural Survey of Zinc Containing Proteins and the Development of the Zinc AMBER Force Field (ZAFF)
Martin B Peters, Yue Yang, Bing Wang, et al.
Journal of Chemical Information and Modeling
|
July 7, 2020
Impact of the <i>Journal of Chemical Information and Modeling</i> Special Issue on Women in Computational Chemistry
Angelica Mazzolari, Ariane Nunes-Alves, Habibah A Wahab, et al.
Journal of Computational Chemistry
|
March 27, 2002
Computation of the physio-chemical properties and data mining of large molecular collections
Ailan Cheng, David J Diller, Steven L Dixon, et al.
Journal of Biomolecular NMR
|
April 24, 2013
Solution NMR refinement of a metal ion bound protein using metal ion inclusive restrained molecular dynamics methods
Dhruva K Chakravorty, Bing Wang, Chul Won Lee, et al.
Journal of Chemical Information and Modeling
|
July 3, 2019
Random Forest Refinement of Pairwise Potentials for Protein-Ligand Decoy Detection
Jun Pei, Zheng Zheng, Hyunji Kim, et al.
Page
of 34