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Journal of Chemical Theory and Computation
|
September 6, 2018
Determination of Ionic Hydration Free Energies with Grand Canonical Monte Carlo/Molecular Dynamics Simulations in Explicit Water
Delin Sun, Sirish Kaushik Lakkaraju, Sunhwan Jo, et al.
Biophysical Journal
|
September 27, 2012
Inclusion of many-body effects in the additive CHARMM protein CMAP potential results in enhanced cooperativity of α-helix and β-hairpin formation
Robert B Best, Jeetain Mittal, Michael Feig, et al.
Journal of Chemical Information and Modeling
|
August 2, 2022
Preserving the Integrity of Empirical Force Fields
Asuka A Orr, Suliman Sharif, Junmei Wang, et al.
Journal of Chemical Theory and Computation
|
April 30, 2021
Functional Group Distributions, Partition Coefficients, and Resistance Factors in Lipid Bilayers Using Site Identification by Ligand Competitive Saturation
Christoffer Lind, Poonam Pandey, Richard W Pastor, et al.
Journal of Chemical Information and Modeling
|
April 5, 2011
Reproducing crystal binding modes of ligand functional groups using Site-Identification by Ligand Competitive Saturation (SILCS) simulations
E Prabhu Raman, Wenbo Yu, Olgun Guvench, et al.
Molecular Pharmaceutics
|
October 14, 2010
Structural determinants for transport across the intestinal bile acid transporter using C-24 bile acid conjugates
Rana Rais, Chayan Acharya, Alexander D Mackerell, et al.
Journal of the American Chemical Society
|
November 19, 2009
Urea destabilizes RNA by forming stacking interactions and multiple hydrogen bonds with nucleic acid bases
U Deva Priyakumar, Changbong Hyeon, D Thirumalai, et al.
Journal of Computational Chemistry
|
December 1, 2012
(Ala)(4)-X-(Ala)4 as a model system for the optimization of the χ1 and χ2 amino acid side-chain dihedral empirical force field parameters
Jihyun Shim, Xiao Zhu, Robert B Best, et al.
Chemical Research in Toxicology
|
May 22, 2013
Structure and thermodynamic insights on acetylaminofluorene-modified deletion DNA duplexes as models for frameshift mutagenesis
Anusha Sandineni, Bin Lin, Alexander D MacKerell, et al.
Chemical Reviews
|
January 28, 2016
An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications
Justin A Lemkul, Jing Huang, Benoît Roux, et al.
Page
of 41
Search research articles
Search
Showing results (151-160 of 402) with videos related to
Sort By:
Page
of 41
Journal of Chemical Theory and Computation
|
September 6, 2018
Determination of Ionic Hydration Free Energies with Grand Canonical Monte Carlo/Molecular Dynamics Simulations in Explicit Water
Delin Sun, Sirish Kaushik Lakkaraju, Sunhwan Jo, et al.
Biophysical Journal
|
September 27, 2012
Inclusion of many-body effects in the additive CHARMM protein CMAP potential results in enhanced cooperativity of α-helix and β-hairpin formation
Robert B Best, Jeetain Mittal, Michael Feig, et al.
Journal of Chemical Information and Modeling
|
August 2, 2022
Preserving the Integrity of Empirical Force Fields
Asuka A Orr, Suliman Sharif, Junmei Wang, et al.
Journal of Chemical Theory and Computation
|
April 30, 2021
Functional Group Distributions, Partition Coefficients, and Resistance Factors in Lipid Bilayers Using Site Identification by Ligand Competitive Saturation
Christoffer Lind, Poonam Pandey, Richard W Pastor, et al.
Journal of Chemical Information and Modeling
|
April 5, 2011
Reproducing crystal binding modes of ligand functional groups using Site-Identification by Ligand Competitive Saturation (SILCS) simulations
E Prabhu Raman, Wenbo Yu, Olgun Guvench, et al.
Molecular Pharmaceutics
|
October 14, 2010
Structural determinants for transport across the intestinal bile acid transporter using C-24 bile acid conjugates
Rana Rais, Chayan Acharya, Alexander D Mackerell, et al.
Journal of the American Chemical Society
|
November 19, 2009
Urea destabilizes RNA by forming stacking interactions and multiple hydrogen bonds with nucleic acid bases
U Deva Priyakumar, Changbong Hyeon, D Thirumalai, et al.
Journal of Computational Chemistry
|
December 1, 2012
(Ala)(4)-X-(Ala)4 as a model system for the optimization of the χ1 and χ2 amino acid side-chain dihedral empirical force field parameters
Jihyun Shim, Xiao Zhu, Robert B Best, et al.
Chemical Research in Toxicology
|
May 22, 2013
Structure and thermodynamic insights on acetylaminofluorene-modified deletion DNA duplexes as models for frameshift mutagenesis
Anusha Sandineni, Bin Lin, Alexander D MacKerell, et al.
Chemical Reviews
|
January 28, 2016
An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications
Justin A Lemkul, Jing Huang, Benoît Roux, et al.
Page
of 41