Education

Nobel Prize in Computational Chemistry:

Nobel Prize in Computational Chemistry 1998

Nobel Prize in Molecular Mechanics 2013

 

Computational Chemistry Lecture:

Learn Computational Chemistry from Prof. Cris Cramer

Introduction to Computational Chemistry by David Young

Learn Molecular Modeling Basics from Prof. Jan Jensen 

Gaussian Lectures by Mohammad Halim

Computational Chemistry Lecture 1:   

Computational Chemistry Lecture 2:  

Computational Chemistry Lecture 3:  

Computational Chemistry Lecture 4: 

Gaussian Educational Website

Gaussian Tutorial

Introduction to VMD

Molecular Dynamic Simulation with NAMD

Glossary on Computational Chemistry from Prof. Ray Poirier

Gaussian Keywords

 

Computational Software:

Gaussian

Gamess

Q-Chem

ORCA

WebMO

Autodock Vina

Discovery Studio

Pymol

LigPlot+

Gabedit

Gromacs

VMD

NAMD

 

Computational Chemistry and Bioinformatics Journals

Journal of Computational Chemistry

Journal of Chemical Theory and Computation

Journal of Chemical Information and Modelling

Journal of Computer aided Molecule Design

Journal of Molecular Modelling

Journal of Molecular Graph and Modelling

Theoretical Chemistry Accounts

Theoretical and Computational Chemistry

International Journal of Quantum Chemistry

Bioinformatics

BMC Bioinformatics

PLOS one

PLOS Computational Biology

Journal of Theoretical Biology

Theoretical Biology and Medical Biology