Upload File

The top documents tagged [conformational sampling]

Docking@GRID – A Web Portal for Massively Parallel Flexible Docking, using the ChemAxon toolkit. Dragos Horvath*, Kun Attila, Benjamin Parent*, Cyrielle
Docking@GRID – A Web Portal for Massively Parallel Flexible Docking, using the ChemAxon toolkit. Dragos Horvath*, Kun Attila, Benjamin Parent*, Cyrielle
220 views
Force Fields for Homology Modeling
Force Fields for Homology Modeling
33 views
Lecture 13: Conformational Sampling: MC and MD Dr. Ronald M. Levy ronlevy@temple.edu Contributions from Mike Andrec and Daniel Weinstock Statistical Thermodynamics
Lecture 13: Conformational Sampling: MC and MD Dr. Ronald M. Levy [email protected] Contributions from Mike Andrec and Daniel Weinstock Statistical Thermodynamics
213 views
1 Copyright © 2006 Chemical Computing Group Inc. All Rights Reserved. Chemical Computing Group Inc. Docking and Multi Fragment Search
1 Copyright © 2006 Chemical Computing Group Inc. All Rights Reserved. Chemical Computing Group Inc. Docking and Multi Fragment Search
214 views
University of Illinois at Urbana-Champaign Memory Architectures for Protein Folding: MD on million PIM processors Fort Lauderdale, May 03,
University of Illinois at Urbana-Champaign Memory Architectures for Protein Folding: MD on million PIM processors Fort Lauderdale, May 03,
213 views
Molecular Modelling - Lecture 2 Techniques for Conformational Sampling Uses CHARMM force field Written in C++
Molecular Modelling - Lecture 2 Techniques for Conformational Sampling Uses CHARMM force field Written in C++
216 views
Presented by Alana Canfield William Goddard Ravi Abrol and Soo-Kyung Kim SoCalBSI Program August 21, 2008 Computational Analysis of the Structure of Human
Presented by Alana Canfield William Goddard Ravi Abrol and Soo-Kyung Kim SoCalBSI Program August 21, 2008 Computational Analysis of the Structure of Human
216 views
Notes on Zing Conference Chao Wang, Bin Ling. Overview Key words: Chemical shift, docking, interaction Freq: –Conclusion: 3 –Method: 30 –App: 9 –Discovery:
Notes on Zing Conference Chao Wang, Bin Ling. Overview Key words: Chemical shift, docking, interaction Freq: –Conclusion: 3 –Method: 30 –App: 9 –Discovery:
214 views
Enhanced conformational sampling via very large time-step molecular dynamics, novel variable transformations and adiabatic dynamics Mark E. Tuckerman Dept
Enhanced conformational sampling via very large time-step molecular dynamics, novel variable transformations and adiabatic dynamics Mark E. Tuckerman Dept
224 views
Computational Structure-Based Redesign of Enzyme Activity Cheng-Yu Chen, Ivelin Georgiev, Amy C.Anderson, Bruce R.Donald A Different computational redesign
Computational Structure-Based Redesign of Enzyme Activity Cheng-Yu Chen, Ivelin Georgiev, Amy C.Anderson, Bruce R.Donald A Different computational redesign
216 views