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The Journal of Chemical Physics
|
December 16, 2014
Accurate small and wide angle x-ray scattering profiles from atomic models of proteins and nucleic acids
Hung T Nguyen, Suzette A Pabit, Steve P Meisburger, et al.
Journal of the American Chemical Society
|
May 29, 2003
Symmetry and bonding in metalloporphyrins. A modern implementation for the bonding analyses of five- and six-coordinate high-spin iron(III)-porphyrin complexes through density functional calculation and NMR spectroscopy
Ru-Jen Cheng, Ping-Yu Chen, Timothy Lovell, et al.
Journal of Computer-Aided Molecular Design
|
August 3, 2016
The importance of protonation and tautomerization in relative binding affinity prediction: a comparison of AMBER TI and Schrödinger FEP
Yuan Hu, Brad Sherborne, Tai-Sung Lee, et al.
Journal of Computational Chemistry
|
December 4, 2003
Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures
Michael Feig, Alexey Onufriev, Michael S Lee, et al.
The Journal of Physical Chemistry. A
|
May 25, 2007
Implementation of the SCC-DFTB method for hybrid QM/MM simulations within the amber molecular dynamics package
Gustavo de M Seabra, Ross C Walker, Marcus Elstner, et al.
Inorganic Chemistry
|
October 29, 2002
Metal substitution in the active site of nitrogenase MFe(7)S(9) (M = Mo(4+), V(3+), Fe(3+))
Timothy Lovell, Rhonda A Torres, Wen-Ge Han, et al.
Journal of the American Chemical Society
|
December 11, 2019
Correction to "High-Resolution ENDOR Spectroscopy Combined with Quantum Chemical Calculations Reveals the Structure of Nitrogenase Janus Intermediate E<sub>4</sub>(4H)"
Veronika Hoeke, Laura Tociu, David A Case, et al.
Journal of the American Chemical Society
|
July 17, 2019
High-Resolution ENDOR Spectroscopy Combined with Quantum Chemical Calculations Reveals the Structure of Nitrogenase Janus Intermediate E<sub>4</sub>(4H)
Veronika Hoeke, Laura Tociu, David A Case, et al.
Chemmedchem
|
September 13, 2007
Homology modeling of NR2B modulatory domain of NMDA receptor and analysis of ifenprodil binding
Luciana Marinelli, Sandro Cosconati, Thomas Steinbrecher, et al.
Proteins
|
August 10, 2021
Molecular dynamics analysis of a flexible loop at the binding interface of the SARS-CoV-2 spike protein receptor-binding domain
Jonathan K Williams, Baifan Wang, Andrew Sam, et al.
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of 20
Search research articles
Search
Showing results (111-120 of 194) with videos related to
Sort By:
Page
of 20
The Journal of Chemical Physics
|
December 16, 2014
Accurate small and wide angle x-ray scattering profiles from atomic models of proteins and nucleic acids
Hung T Nguyen, Suzette A Pabit, Steve P Meisburger, et al.
Journal of the American Chemical Society
|
May 29, 2003
Symmetry and bonding in metalloporphyrins. A modern implementation for the bonding analyses of five- and six-coordinate high-spin iron(III)-porphyrin complexes through density functional calculation and NMR spectroscopy
Ru-Jen Cheng, Ping-Yu Chen, Timothy Lovell, et al.
Journal of Computer-Aided Molecular Design
|
August 3, 2016
The importance of protonation and tautomerization in relative binding affinity prediction: a comparison of AMBER TI and Schrödinger FEP
Yuan Hu, Brad Sherborne, Tai-Sung Lee, et al.
Journal of Computational Chemistry
|
December 4, 2003
Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures
Michael Feig, Alexey Onufriev, Michael S Lee, et al.
The Journal of Physical Chemistry. A
|
May 25, 2007
Implementation of the SCC-DFTB method for hybrid QM/MM simulations within the amber molecular dynamics package
Gustavo de M Seabra, Ross C Walker, Marcus Elstner, et al.
Inorganic Chemistry
|
October 29, 2002
Metal substitution in the active site of nitrogenase MFe(7)S(9) (M = Mo(4+), V(3+), Fe(3+))
Timothy Lovell, Rhonda A Torres, Wen-Ge Han, et al.
Journal of the American Chemical Society
|
December 11, 2019
Correction to "High-Resolution ENDOR Spectroscopy Combined with Quantum Chemical Calculations Reveals the Structure of Nitrogenase Janus Intermediate E<sub>4</sub>(4H)"
Veronika Hoeke, Laura Tociu, David A Case, et al.
Journal of the American Chemical Society
|
July 17, 2019
High-Resolution ENDOR Spectroscopy Combined with Quantum Chemical Calculations Reveals the Structure of Nitrogenase Janus Intermediate E<sub>4</sub>(4H)
Veronika Hoeke, Laura Tociu, David A Case, et al.
Chemmedchem
|
September 13, 2007
Homology modeling of NR2B modulatory domain of NMDA receptor and analysis of ifenprodil binding
Luciana Marinelli, Sandro Cosconati, Thomas Steinbrecher, et al.
Proteins
|
August 10, 2021
Molecular dynamics analysis of a flexible loop at the binding interface of the SARS-CoV-2 spike protein receptor-binding domain
Jonathan K Williams, Baifan Wang, Andrew Sam, et al.
Page
of 20