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GBSA And Other Bad Solvation Models PowerPoint PPT Presentation
GBSA And Other Bad Solvation Models - Energy Deficit (1/r4) Generalized Born Equation ... 1.0 Angstrom Spacing. 1.6 Angstrom Spacing. Gaussian Generalized Born. OR. Suggests: ...
Energy Deficit (1/r4) Generalized Born Equation ... 1.0 Angstrom Spacing. 1.6 Angstrom Spacing. Gaussian Generalized Born. OR. Suggests: ...
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theoretical methods to study protein folding: empirical force fields PowerPoint PPT Presentation
theoretical methods to study protein folding: empirical force fields - THEORETICAL METHODS TO STUDY PROTEIN FOLDING: EMPIRICAL FORCE FIELDS Maple et al., J. Comput. Chem., 15, 162-182 (1994) Parameterization of class II force fields ...
THEORETICAL METHODS TO STUDY PROTEIN FOLDING: EMPIRICAL FORCE FIELDS Maple et al., J. Comput. Chem., 15, 162-182 (1994) Parameterization of class II force fields ...
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Biophysical Chemistry G4170: PowerPoint PPT Presentation
Biophysical Chemistry G4170: - The molecular surface of acetyl choline esterase molecule color coded by ... directly into the active site and acetyl choline is present in a bond representation. ...
The molecular surface of acetyl choline esterase molecule color coded by ... directly into the active site and acetyl choline is present in a bond representation. ...
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Biophysical Chemistry G4170: PowerPoint PPT Presentation
Biophysical Chemistry G4170: - 9, 1 (1976); Duijnen and Thole, Biopolymers, 21, 1749 (1982) Polarizable Force Fields ... Thole 1981; Rullmann & van Duijnen 1988; Cieplak & Kollman 1990; ...
9, 1 (1976); Duijnen and Thole, Biopolymers, 21, 1749 (1982) Polarizable Force Fields ... Thole 1981; Rullmann & van Duijnen 1988; Cieplak & Kollman 1990; ...
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General PowerPoint PPT Presentation
General - Totient Function. x, m relative prime: no other common factor than 1. Totient function (n): number of integers less than n relatively prime to n ...
Totient Function. x, m relative prime: no other common factor than 1. Totient function (n): number of integers less than n relatively prime to n ...
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Electrostatics: Semi-Coulombic Approximation PowerPoint PPT Presentation
Electrostatics: Semi-Coulombic Approximation - Computational mapping of proteins for fragment based drug design Sandor Vajda, Spencer Thiel, Michael Silberstein, Melissa Landon, and David Lancia
Computational mapping of proteins for fragment based drug design Sandor Vajda, Spencer Thiel, Michael Silberstein, Melissa Landon, and David Lancia
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Biophysical Chemistry G4170: PowerPoint PPT Presentation
Biophysical Chemistry G4170: - NMR or X-ray structure refinements. Protein structure prediction ... For proteins, usually in torsional space, such as rotate around a dihedral angle ...
NMR or X-ray structure refinements. Protein structure prediction ... For proteins, usually in torsional space, such as rotate around a dihedral angle ...
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The Wider Black Sea Area Civil Security Cooperation Civil Security as a tool for Security Sector Int PowerPoint PPT Presentation
The Wider Black Sea Area Civil Security Cooperation Civil Security as a tool for Security Sector Int - Civil Security as a tool for Security Sector Integration and Regional ... Link with Caucasus (Georgia) and further with Central Asia (STANs) ...
Civil Security as a tool for Security Sector Integration and Regional ... Link with Caucasus (Georgia) and further with Central Asia (STANs) ...
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Programa Financiero 1999 PowerPoint PPT Presentation
Programa Financiero 1999 - Calidad en el Sector de alimentos: Caso de xito trabajando en equipo ... ramas y confirmar o ajustar la validez. de su replicaci n. 1. Diagn sticos a empresas ...
Calidad en el Sector de alimentos: Caso de xito trabajando en equipo ... ramas y confirmar o ajustar la validez. de su replicaci n. 1. Diagn sticos a empresas ...
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Progress Report: Gridenabled Protein Docking Simulation using DOCK PowerPoint PPT Presentation
Progress Report: Gridenabled Protein Docking Simulation using DOCK - The NCI diversity set was converted and tested in this fashion. ... the go ahead for final docking and/or give us tips on how to improve the model. ...
The NCI diversity set was converted and tested in this fashion. ... the go ahead for final docking and/or give us tips on how to improve the model. ...
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Computational Docking PowerPoint PPT Presentation
Computational Docking - tot_nb_pairs_list = cat list | wc -l. While (non-H atom/site pairs exist)? add pairs ... loss of degrees of freedom upon binding ...
tot_nb_pairs_list = cat list | wc -l. While (non-H atom/site pairs exist)? add pairs ... loss of degrees of freedom upon binding ...
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Spicoli PowerPoint PPT Presentation
Spicoli - A triangle = indexed to 3 vertices. Each edge has at most two triangles ... Convolute that grid with a sphere/Gaussian. Make a surface at given threshold ...
A triangle = indexed to 3 vertices. Each edge has at most two triangles ... Convolute that grid with a sphere/Gaussian. Make a surface at given threshold ...
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