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Computing cures: discovery through the lens of a computational microscope

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Air date: Wednesday, October 25, 2017, 3:00:00 PM
Time displayed is Eastern Time, Washington DC Local
Views: Total views: 302, (90 Live, 212 On-demand)
Category: WALS - Wednesday Afternoon Lectures
Runtime: 01:03:05
Description: NIH Director's Wednesday Afternoon Lecture Series

Annual DeWitt Stetten Jr. Lecture

Dr. Amaro’s scientific interests lie at the intersection of computer-aided drug discovery and biophysical simulation methods. She has a long-standing interest in incorporating structural and dynamical information derived from all-atom molecular dynamics simulations in drug discovery programs, and has worked in a variety of disease areas, including infectious diseases and cancer. Her lab’s work on p53 revealed a novel druggable pocket that clarified the mechanism of action for a compound in clinical trials. This work served as the basis for the formation of a start-up company related to the development of p53 reactivation drugs, Actavalon, Inc. Dr. Amaro is a co-founder, on the scientific advisory board, and an equity shareholder in Actavalon, Inc. Her scientific vision revolves around the continued development of molecular dynamics simulations in drug discovery programs, particularly in expanding the range and complexity of molecular constituents represented in such simulations, and novel multiscale methods for elucidating their time dependent dynamics. She is the director of the NIH P41 National Biomedical Computation Resource and a co-director of the NIH U01 Drug Design Data Resource.

About the Annual DeWitt Stetten Jr. Lecture: Established by NIGMS in 1982 and presented annually in honor of Dr. Stetten, the third NIGMS director, this annual lecture is part of the Wednesday Afternoon Lecture Series.

For more information go to https://oir.nih.gov/wals/2017-2018/computing-cures-discovery-through-lens-computational-microscope
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NLM Title: Computing cures : discovery through the lens of a computational microscope / Rommie E. Amaro.
Author: Amaro, Rommie E.
National Institutes of Health (U.S.),
Publisher:
Abstract: (CIT): NIH Director's Wednesday Afternoon Lecture Series Annual DeWitt Stetten Jr. Lecture Dr. Amaro"s scientific interests lie at the intersection of computer-aided drug discovery and biophysical simulation methods. She has a long-standing interest in incorporating structural and dynamical information derived from all-atom molecular dynamics simulations in drug discovery programs, and has worked in a variety of disease areas, including infectious diseases and cancer. Her lab"s work on p53 revealed a novel druggable pocket that clarified the mechanism of action for a compound in clinical trials. This work served as the basis for the formation of a start-up company related to the development of p53 reactivation drugs, Actavalon, Inc. Dr. Amaro is a co-founder, on the scientific advisory board, and an equity shareholder in Actavalon, Inc. Her scientific vision revolves around the continued development of molecular dynamics simulations in drug discovery programs, particularly in expanding the range and complexity of molecular constituents represented in such simulations, and novel multiscale methods for elucidating their time dependent dynamics. She is the director of the NIH P41 National Biomedical Computation Resource and a co-director of the NIH U01 Drug Design Data Resource. About the Annual DeWitt Stetten Jr. Lecture: Established by NIGMS in 1982 and presented annually in honor of Dr. Stetten, the third NIGMS director, this annual lecture is part of the Wednesday Afternoon Lecture Series.
Subjects: Computer-Aided Design
Drug Design
Molecular Dynamics Simulation
Tumor Suppressor Protein p53--therapeutic use
Publication Types: Lectures
Webcasts
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NLM Classification: QV 745
NLM ID: 101716407
CIT Live ID: 26521
Permanent link: https://videocast.nih.gov/launch.asp?23549