CPHI & PMEC China 2026
Date & Time - June 16th-18th, 2026
Location - Shanghai, China
Schrödinger is excited to be participating in the CPHI & PMEC China conference taking place on June 16th – 18th in Shanghai, China. Join us for a presentation by Shiva Sekharan, Senior Director, Global Portfolio Leader at Schrödinger titled, “From CADD to CMC: Modeling Solutions to Accelerate Drug Substance, Product, Formulation, and Delivery Processes.”
Stop by booth #E1.1A10 to speak with Maurice Shen, Director, Account Management at Schrödinger.
JUN 16 | 14:00 – 14:20 From CADD to CMC: Modeling Solutions to Accelerate Drug Substance, Product, Formulation, and Delivery Processes
Speakers:
Shiva Sekharan, Senior Director, Global Portfolio Leader, Schrödinger
Abstract:
Early assessment of degradation, reactivity, catalysis, polymorphism and solubility of active pharmaceutical ingredients (API) is critical for small molecule drug substance and drug product development processes. We have developed an automated computational platform leveraging physics-based methods, chemistry-informed AI and ML models to efficiently predict bond dissociation energies and decomposition products to elucidate reaction mechanisms, screen crystal polymorphs to derisk selection of a stable solid
form using the crystal structure prediction (CSP) method, compute the thermodynamic solubility of diverse chemical structures and solubility enhancement via organic cosolvents using free energy perturbation (FEP+) method, screen polymer excipients that can interact strongly with the API and reduces the risk of recrystallization, and calculate apparent pKa values of ionizable lipids and simulate the self-assembly and structural properties of lipid nanoparticles.
Our Speaker
Shiva Sekharan
Senior Director, Global Portfolio Leader, Schrödinger
Sivakumar (Shiva) Sekharan, Ph.D., is the Global Portfolio Leader of Formulations/CSP at Schrödinger and is responsible for driving the business development efforts in the formulations space. Before arriving at Schrödinger, Shiva held a business development role at XtalPi Inc., where he led the US solid-state services unit, worked with departmental heads to establish effective goals, sales targets, outlined procedures and best practices and provided strategic directions to increase revenue. Shiva graduated from the University of Duisburg-Essen, Germany with a PhD in Theoretical Chemistry followed by postdoctoral training at the Max-Planck Institute for Polymer Science, Emory University, Fukui Institute for Fundamental Chemistry and Yale University. Shiva is an accomplished computational chemist, with strong research expertise in the areas of solid-state chemistry and drug discovery.