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Current Topics in Medicinal Chemistry
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August 20, 2009
Development of extracellular signal-regulated kinase inhibitors
Kimberly Burkhard, Sarice Smith, Rahul Deshmukh, et al.
Journal of Chemical Information and Modeling
|
December 15, 2010
Automated selection of compounds with physicochemical properties to maximize bioavailability and druglikeness
Taiji Oashi, Ashley L Ringer, E Prabhu Raman, et al.
Journal of Chemical Information and Modeling
|
July 20, 2012
Correction to intrinsic energy landscapes of amino acid side-chains
Xiao Zhu, Pedro E M Lopes, Jihyun Shim, et al.
Biomolecules
|
September 27, 2025
Bile Acids Are Potential Negative Allosteric Modulators of M1 Muscarinic Receptors
Wenbo Yu, Alexander D MacKerell, David J Weber, et al.
Journal of Computational Chemistry
|
April 7, 2011
Impact of 2'-hydroxyl sampling on the conformational properties of RNA: update of the CHARMM all-atom additive force field for RNA
Elizabeth J Denning, U Deva Priyakumar, Lennart Nilsson, et al.
Journal of Computer-Aided Molecular Design
|
March 11, 2014
Site-Identification by Ligand Competitive Saturation (SILCS) assisted pharmacophore modeling
Wenbo Yu, Sirish Kaushik Lakkaraju, E Prabhu Raman, et al.
Biochemistry
|
December 8, 2004
Molecular-level organization of saturated and polyunsaturated fatty acids in a phosphatidylcholine bilayer containing cholesterol
Michael C Pitman, Frank Suits, Alexander D Mackerell, et al.
Journal of Chemical Theory and Computation
|
December 5, 2024
Modeling Ligand Binding Site Water Networks with Site Identification by Ligand Competitive Saturation: Impact on Ligand Binding Orientations and Relative Binding Affinities
Anmol Kumar, Himanshu Goel, Wenbo Yu, et al.
Journal of Chemical Information and Modeling
|
May 22, 2013
Estimation of ligand efficacies of metabotropic glutamate receptors from conformational forces obtained from molecular dynamics simulations
Sirish Kaushik Lakkaraju, Fengtian Xue, Alan I Faden, et al.
Faraday Discussions
|
June 26, 2013
Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force field
Yun Luo, Wei Jiang, Haibo Yu, et al.
Page
of 41
Search research articles
Search
Showing results (171-180 of 402) with videos related to
Sort By:
Page
of 41
Current Topics in Medicinal Chemistry
|
August 20, 2009
Development of extracellular signal-regulated kinase inhibitors
Kimberly Burkhard, Sarice Smith, Rahul Deshmukh, et al.
Journal of Chemical Information and Modeling
|
December 15, 2010
Automated selection of compounds with physicochemical properties to maximize bioavailability and druglikeness
Taiji Oashi, Ashley L Ringer, E Prabhu Raman, et al.
Journal of Chemical Information and Modeling
|
July 20, 2012
Correction to intrinsic energy landscapes of amino acid side-chains
Xiao Zhu, Pedro E M Lopes, Jihyun Shim, et al.
Biomolecules
|
September 27, 2025
Bile Acids Are Potential Negative Allosteric Modulators of M1 Muscarinic Receptors
Wenbo Yu, Alexander D MacKerell, David J Weber, et al.
Journal of Computational Chemistry
|
April 7, 2011
Impact of 2'-hydroxyl sampling on the conformational properties of RNA: update of the CHARMM all-atom additive force field for RNA
Elizabeth J Denning, U Deva Priyakumar, Lennart Nilsson, et al.
Journal of Computer-Aided Molecular Design
|
March 11, 2014
Site-Identification by Ligand Competitive Saturation (SILCS) assisted pharmacophore modeling
Wenbo Yu, Sirish Kaushik Lakkaraju, E Prabhu Raman, et al.
Biochemistry
|
December 8, 2004
Molecular-level organization of saturated and polyunsaturated fatty acids in a phosphatidylcholine bilayer containing cholesterol
Michael C Pitman, Frank Suits, Alexander D Mackerell, et al.
Journal of Chemical Theory and Computation
|
December 5, 2024
Modeling Ligand Binding Site Water Networks with Site Identification by Ligand Competitive Saturation: Impact on Ligand Binding Orientations and Relative Binding Affinities
Anmol Kumar, Himanshu Goel, Wenbo Yu, et al.
Journal of Chemical Information and Modeling
|
May 22, 2013
Estimation of ligand efficacies of metabotropic glutamate receptors from conformational forces obtained from molecular dynamics simulations
Sirish Kaushik Lakkaraju, Fengtian Xue, Alan I Faden, et al.
Faraday Discussions
|
June 26, 2013
Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force field
Yun Luo, Wei Jiang, Haibo Yu, et al.
Page
of 41