'Conformational space' presentation slideshows

Protein Structure Prediction Ram Samudrala University of Washington

Protein Structure Prediction Ram Samudrala University of Washington. Rationale for understanding protein structure and function. structure determination structure prediction. Protein structure - three dimensional - complicated - mediates function. homology rational mutagenesis

585 views • 58 slides

Conformational Space

Conformational Space. Conformational Space. Conformation of a molecule: specification of the relative positions of all atoms in 3D-space, Typical parameterizations : List of coordinates of atom centers List of torsional angles (e.g., the f - y - c for a protein)

726 views • 48 slides

Coordinates and Pathways in MM and QM/MM modeling

Coordinates and Pathways in MM and QM/MM modeling. Haiyan Liu School of Life Sciences, University of Science and Technology of China.

464 views • 41 slides

ATIP 1 st Workshop on HPC in India @ SC-09

Understanding Protein stability and Function through simulations and Structure networks. Saraswathi Vishveshwara Molecular Biophysics Unit Indian Institute of Science Bangalore. Workshop on HPC in India. ATIP 1 st Workshop on HPC in India @ SC-09.

501 views • 36 slides

Implementation of Conformational Space Annealing into CHARMM and its Applications

Implementation of Conformational Space Annealing into CHARMM and its Applications. Jinhyuk Lee 1 , Jinwoo Lee 1,2 , Milan Hodoscek 3 , Bernard R. Brooks 3 , and Jooyoung Lee 1. 1 School of Computational Sciences and Center for In Silico Protein Science,

475 views • 35 slides

Pharm 202 Computer Aided Drug Design

Pharm 202 Computer Aided Drug Design. Phil Bourne bourne@sdsc.edu http://www.sdsc.edu/pb -> Courses -> Pharm 202. Several slides are taken from UC Berkley Chem 195. Perspective. Principles of drug discovery (brief) Computer driven drug discovery Data driven drug discovery

1.18k views • 30 slides

Practical session 2b Introduction to 3D Modelling and threading 9:30am-10:00am

405 views • 28 slides

Modelling Genome Structure and Function Ram Samudrala University of Washington

Modelling Genome Structure and Function Ram Samudrala University of Washington. Rationale for understanding protein structure and function. structure determination structure prediction. Protein structure - three dimensional - complicated - mediates function. homology

304 views • 15 slides