Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

James C Gumbart

2PUBLICATIONS

5CO-AUTHORS

Biomolecular modelling and designTheoretical quantum chemistry

Featured researcher

Get your video featured.

Publish with JoVE

Featured researcher

Get your video featured.

Publish with JoVE

Publications (2)

Sort by Publication Date:

|Nov 03, 2020

Parameterization of a drug molecule with a halogen σ-hole particle using ffTK: Implementation, testing, and comparison.

Yui Tik Pang, Anna Pavlova, Emad Tajkhorshid

|Aug 24, 2018

Folding free energy landscapes of <i>β</i>-sheets with non-polarizable and polarizable CHARMM force fields.

Anthony J Hazel, Evan T Walters, Christopher N Rowley

Pageof 1

Frequent Collaborators

1 joint publications

Evan T Walters

1 joint publications

Christopher N Rowley

1 joint publications

Yui Tik Pang

1 joint publications

Anna Pavlova

1 joint publications

Emad Tajkhorshid

Frequent Collaborators

1 joint publications

Evan T Walters

1 joint publications

Christopher N Rowley

1 joint publications

Yui Tik Pang

1 joint publications

Anna Pavlova

Top Related Videos

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on : Apr 12, 2019

Laboratory and Field Protocol for Estimating Sheet Erosion Rates from Dendrogeomorphology

Laboratory and Field Protocol for Estimating Sheet Erosion Rates from Dendrogeomorphology

Published on : Jan 07, 2019

See more related videos

Top Related Videos

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on : Apr 12, 2019

Laboratory and Field Protocol for Estimating Sheet Erosion Rates from Dendrogeomorphology

Laboratory and Field Protocol for Estimating Sheet Erosion Rates from Dendrogeomorphology

Published on : Jan 07, 2019

See more related videos